EPA/600/R-96/002
February 1996
THE MATRIX-ISOLATION INFRARED
AND LOW-RESOLUTION MASS
SPECTRA OF THE 209
POLYCHLOROBIPHENYL
CONGENERS
by
Don P. Miller* Harry Kimball, Terry Crone, and Billy J. Fairless
Environmental Services Division
U.S. EPA, Region 7
25 Funston Road
Kansas City, Kansas 66115
and
Barry Miller
Mantech, Inc.
25 Funston Road
Kansas City, Kansas 66115
July 1994
Project Officer
Robert Lewis
U.S. Environmental Protection Agency
Office of Research and Development
Atmospheric Research and Exposure Assessment Laboratory
MD-77
Research Triangle Park, North Carolina 27711
-------
EPA Disclaimer
Mention of trade names, commercial products, or services does not convey, and should not be interpreted
as conveying official EPA approval, endorsement, or recommendation for use.
ii
-------
Foreward
The polychlorob{phenyls (PCBi) presently foand in die environment are derived from man-made
wrirriitii One sucit act of materiab are the commercial mixture* caDed Arodors. These mixtures contain
chlorinated b(phenyl congeners, and there are 209 possible congeners. Different Arodors and other
commercial products eadi contain a different set of congeners. The identity and relative amount of each
congener present hi a particular commercial mixture is characteristic of that mixture. As a result, analytical
jnethodi have been developed and used widely which recognize the congener patterns of specific commercial
mlxtnra and which report quantitative results in terms of the commercial mixtures. Each congener in
general behaves differently in the environment Some congeners are degraded fairly easDy while others are
comparatively persistent and bioaccumulate. Some congeners are relatively non-toxic while others are quite
toxic.
In the late 1970's, toxicologic started calculating toxicity equivalency factors (TEFs) to indicate the
relative toxicity of specific congeners of chlorinated dibeozo-p-dioxlns and chlorinated dibenzofnnuu
(CDD/CDF») as compared to 2,3,7,8-tetrachk)rodibenzo-p-dk>xin (TCDD). In the past five years, scientists
have internationally agreed on the TEFs for aO congeners of CDD/CDFs[lj. TEFs have been calculated for
several PCB congeners having dioxin-like activity in test animals. Using TCDD as the index compound, PCBs
with a copianar molecular structure have much higher TEFs than those which do not possess that
strscture{l].
Since different PCB congeners have varying toxicity, a more effective assessment of risk would use
environmental data based on the concentrations of the PCB congeners and not in terns of the concentration*
of commercial PCB mixtures. As a result, analytical methods are needed which are congener specific.
Dual-column capillary gas chromatography with electron-capture detection is a cost-effective method
for the quantitation of PCB congeners in environmental samples. However, analytical methods using a non-
specific detector do not confirm the identity of analytes. Since interfering substances often confound
environmental samples, analytical methods are needed which qualitatively confirm die presence of each PCB
congener.
The most widely used method for qualitative identification of analytes fat environmental samples is
mass spectroscopy. For PCB analysis, however, the mass spectra of PCB congeners containing equal amounts
of chlorine are not sufficiently unique to distinguish between their congeners. Therefore, other congener-
specific techniques are needed.
Infrared (BR) spectroscopy is a technique which, in principle, provides a unique spectrum for each
pure molecular compound; therefore, XK is useful for qualitative confirmation of analytes. Matrix-isolation
1R spectroscopy (MI-IR) is a technique where the analyte is observed while trapped and isolated in a frozen
argon matrix. The resulting spectra] lines are narrow since no rotational contributions are present, and only
the pure vibrational spectrum is observed.
iii
-------
The data presented in tills report are the low-resolution mm spectra and the matris4solatkm
Infrared spectra of all 209 congener* of polycblorobiphenyl. Their purpose Is to provide a library useful for
the qualitative confirmation of individual PCB congeners observed in environmental samples.
Jay J. Messer
Acting Director
Atmospheric Research and Exposure
Assessment Laboratory
Research Triangle Park
North Carolina 27711
-------
Contents
ft Uj-I "
FawmfJ m
Ah.tr.rf **
1. 1
2. r.Tp»rM«»wf«i n»t«n« <
Matrix-Isolation Infrared Spectrometer Data , 5
Mass Spectrometer Data , 6
Standard! 6
3. Re»ulfi 8
References. 9
v
-------
Abstract
Since the toxicity of each PCB congener is different, risk assessors need to know the concentration of
each congener present in the environment An analytical method that is sensitive and specific for each
congener combines the separation of congener* by capillary gas chromatography, quantitation by electron
capture detection, and qualitative confirmation by MI/FT-IR.
Qualitative confirmation of PCBs in environmental matrices is usually accomplished by lonr-
resoiution mass spectroscopy (LRMS); however, PCB congeners with an equal number of chlorine atoms
(homologs) have indistinguishable spectra using LRMS. Therefore, a congener-specific qualitative test b
needed. The matrix-isolation FT-IR spectrum is unique for each PCB congener.
This report presents LRMS and MI/FT-IR spectral data for the purpose of qualitative confirmation
of each PCB congener.
This report covers a period from 1986 to 1993 and the work was completed in 1993.
vi
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SECTION 1
Introduction
Poly chlorinated biphenyls (PCBs) are ubiquitous in the environment. They have been detected In
streams, soil, rain, and are distributed as far as the polar regions of the planet{l]. PCBs have a high affinity
for organic materials and do not readily degrade in the environment. This causes than to bind to soDs and
bfoaccumulate in fat tissue. Investigators have found PCBs in eagles, fish, milk, and human adipose tissue
UA
The predominate source of PCBs is from man-made materials. For example, the Arodors are a
series of chlorinated biphenyb produced by Monsanto from 1930 to 1977[2J. Similar products were produced
in Japan, Sweden, and elsewhere. An estimated 1-25 billion pounds of PCBs have been produced in the
United States [2]. In 1982, Mackay[3] calculated that approximately 2 percent, or 2.4 x 10T pounds, was
distributed throughout the environment in an accessible form, with another 7J x 10* pounds hi various
inaccessible forms. One example of an accessible form would be carbon paper; an inaccessible form would be
a sealed electrical transformer.
In the Monsanto process, the chlorinaiion reaction continues until the product has reached the
desired level of chlorination, as determined by specific gravity. This reaction is not very selective; therefore,
each Aroclor contained products with a considerable range in the degree of chlorination and isomeric
configuration. Altogether, 209 congeners are possible, although no single Aroclor contains all of diem. For
example, Aroclor 1016 contains a high proportion of biphenyl and mono-substituted congeners, while Aroclor
1260, die most highly chlorinated product, contains more highly chlorinated PCBs.
A
1
-------
Arociorc that bve been exposed to environmental factors, Le^ that are "weathered", do not have the
taae ratios of PCB congeners as the original Arodor products. Photolysis b a significant degradation process
which occurs naturally. However, the atmospheric half-lives are dependent on the degree of chiorination.
Half-lives of the monochlorobipbenyls range from 0.62-1.4 days, while pentachlorobipbenyi has a half-fife of
67 days{2].
Microbial degradation of PCBs depends on the degree of chiorination and the position of die chlorine
atoms on the biphenyl rings. Biphenyb with less chiorination are readily transformed by bacteria, hot those
with a high degree of chiorination are not[2].
The major PCB metabolites in higher animals are mono- and dihydroxychlorobipbenyls and their
conjugates. The metabolic rates are dependent on the degree of chiorination and the substitution pattern.
The lower chlorinated PCBs are readily metabolized, while highly substituted PCB congeners are hardly
metabolized at alL Instead, they are stored in the animal's adipose tissue[l].
Risk assessment studies have indicated that the different congeners of PCBs are not equally
toxic[4,5,6]. These studies indicate that most of the congeners have low toxicity whereas only a few are highly
toxic. For example, when the toxic response of 3,3',4,4',5-pentachlorobiphenyl (TUPAC Number 126) b
compared to that of 2,3,7,8-TCDD (dioxin), the PCB congener gives a similar response at a dose level of 10 to
20 times that of dioxin in test animals. On the other hand, 3,3VM'-
-------
are considered to be too weak to be of major concern. The other classes of PCB congeners, along with the
metabolites found in the environment, may have toxic effects not associated with the Ah receptor; however,
insufficient evidence exists at this time to draw definite conclusions.
In 1980, BaDschnxfter and ZeD [6] arranged the 209 congeners in ascending numerical order and assigned
them what has come to be known as "BZ" numbers from 1 to 209, which does not include biphenyL Schuhe
and MaOsch |9] corrected a minor discrepancy in the congener order in 1983 in order for the nomenclature to
follow IUPAC rules. This discrepancy only affects congeners 199-201. This report adheres to IUPAC
terminology. A complete list of IUPAC Numbers, compound names, and CAS Numbers may be found in
Table A-I in Erickson's book [2].
There are a number of methods for the analysis of PCBs in environmental samples, such as ASTM
D3534 and EPA Methods 608,625,8080, and 8270 (10]. These and other similar methods treat the PCBs as
multi-component mixtures of the Aroclors and do not distinguish individual PCB congeners. After deciding
which Aroclors are present, selected chromatographic peaks are used to quantitate the samples.
Schultz, et aL [11], have used two-dimensional higb-resolution gas chromatography with electron-
capture detection (GC/EC) to analyze all 209 congeners. This method can be used to analyze the coplanar
and mono-ortbo-coplanar PCBs with none of the peaks coeluting. Hie chromatographic retention times are
used to identify the congeners but confirmation of the peak Identity Is not possible, since EC b a non-specific
detector.
The analysis of the Class I and II PCB congeners has also been demonstrated using higb-resolution
gas chromatography coupled with high-resolution mass spectrometry (HRGC/MS) [12,13]. The mass
spectrometer can confirm the presence of a characteristic set of manes, after chromatographic separation
and sample cleanup. Hie HRGC/MS method produces sensitivity in the low part-per-triDion range for
environmental samples. High resolution is required to selectively detect some PCB congeners in the presence
of interferences. Chromatographic retention times determine the identification of individual congeners and
the characteristic fragmentation patterns are used to indicate
3
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the peak b a PCB. As mentioned above, the mass spectrometer b not able to distinguish between congener*
with tbe same number of chlorines.
An alternative analytical method uses high-resolution GC to isolate tbe Individual congeners followed
by a split of tbe column effluent to two detectors, where an electron captsn detector is used to quantitate the
sample, and the identity of the PCB congener is qualitatively confirmed nsing the nnique infrared(IR)
spectrum for each congener. The sensitivity and throughput of the GC/EC/IR methodology for congeners is
approximately the tame as existing methods for PCB mixtum, such as EPA Methods 625 and 8080. The 18
detector is not as sensitive as either tbe electron capture detector nor tbe high resolution mass spectrometer;
however, both these more sensitive detectors are unable to qualitatively distinguish between aO the PCB
congeners. The productivity of all these methods are comparable when confirmatory runs are ignored in
those methods which use non-specific detectors. The IR detection method is more cost effective when
confirmations of the identities of the individual congeners are required since tbe qualitative identification of
each congener is achieved in one GC run.
4
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SECTION 2
Experimental
MATRIX-ISOLATION INFRARED SPECTROMETER DATA
A Cryolect matrix-isolation GC/FT-IR (Mattson Scientific, Inc.) was uedtocoDeettDtkedata is this
study. Hie Cryolect instrument consists of a Hewlett-Packard HPS890A gas chromatography a Mattson
Siriui Model 100 FT-IR spectrometer, a cryogenic disk, and a Pixel computer to control Cryolect operations.
The spectrometer was equipped with a broad-band MCT detector and the Cryolect sample chamber.
The GC was equipped with a flame-ionization detector. A DB-S (5 percent pbenyl-95 percent
methyl-sihcoue) fused silica capillary column (JAW Scientific) 30m x 032mm kL, Q.25p film thickness, was
¦sed for all chromatographic separations. After a one-minute hold at 50 degrees Cebias, the DB-5 column
was programmed to 120°C at 25"Omln, then to 320°C at 5°C/min,with a final hold time of 7 minutes. The
total ran time was approximately 51 minutes.
A nominal SO og of standard was injected in the splitless mode The injection port temperature was
maintained at 225°C. The column head pressure was kept at 10 psi using ultra-high purity helfaun with 1.5
percent argon as the carrier gas at a flow rate of 40 ml Jmin. The effluent from the GC was split, with 80
percent going to the Cryolect for spectral identification and 20 percent going to the FID for quantitation and
measurement of retention times.
The column effluent proceeds across an open-split interface, through a transfer line heated to 250°C,
to die Cryoduk. The Cryodfak, cooled to 10 keMn, is housed inside a chamber kept at 10^ torr.
The solute is frozen onto the disk within an argon matrix in the form of a hand. The sizes and lengths
5
-------
-------
of tbe fused silica transfer fines were chosen insure that tbe analyte readies the detectors simultaneously.
The position of the spot on the disk that contains the analyte was determined from the FID retention
time. One hundred twenty-eight scans or more were taken of the standard in die frozen argon matrix, and
the FT-IR conditions were set to obtain 1 cm'1 resolution for the fafraredinterferograins over tbe wavelength
region of4000-650 cm"'. The transformed data contained 8192 points. The following criteria were estabBshed
for spectra: Tbe sigaal-to-noise ratio of the spectrum was at least 100, meaning that tbe peak-to-peak noise in
tbe noisiest region of tbe spectrum (usually 3000-4000 cm"1) was less than one-hundredth tbe maximum
intensity of the most intense band. If this requirement was not met, the number of scans was increased until
the requirement was met Carbon dioxide, water, and other known interferences were manually edited from
tbe spectrum. Tbe spectrum's baseline was corrected manually to remove fringe patterns.
The Ht spectrum for each congener was added to die spectral library after being checked for
•niqneness against all previous entries. This process determined that the matrix-Isolation IR spectrum of
each of the 209 congeners was unique.
MASS SPECTROMETER DATA
A HPS970 MSD was coupled with a HP5890 Series II gas chromatograph. The GC was equipped
with a DB-5 column, 30m x OJJinn LtL, 0.2Sp film thickness. After a one-minute hold time at 50°C, the oven
was temperature programmed to 300°C at a rate of 7"C/min,with a final hold time of 10 minutes. Tbe
injection port temperature was maintained at 220°C and die transfer be to the spectrometer at 280°C
The ionization potential on the mass spectrometer was set to 70eV. Tbe mass range went from 33 to
550 during a one second scan. Tbe mass spectrometer was tuned daily with DFTPP to
optimize tbe signaL Nominally, the Injection of40-200 ng of each PCB standard yielded usable spectra.
STANDARDS
Standards were primarily from two sources, Chem Service and Dr. Stephen Safe at Texas A&M
University. Those obtained from Chem Service were pure standards in bexane at a concentration of 100
6
-------
ng/fiL. Some of the congeners received from Dr. Safe were neat standards of high parity while others were
mixtures of two to three congeners.
The Identity of each congener provided by the supplier was assured using the following procedure:
1) The GC retention time of each congener was compared with published retention times[14].
2) As each successive ER spectram was acquired, it was searched against the library of all previously
acquired IR spectra. All 209 congeners had unique IR spectra.
3) The IR spectra of the congeners having a high degree of symmetry were compared to other
spectra for congeners having less symmetry. The spectra of the congeners with more symmetry contained
fewer peaks than those having less symmetry.
4) The mass spectrum of each congener was checked for total mass and the number of chlorines in
the congener.
5) Independent of this effort, N. Smyri[15] compiled a condensed-phase IR library of all 209
congeners. He obtained standards from Ultra Scientific at a concentration of 100 ng/jiL. He acquired the
spectra using a BioRad/Digiiab Model FTS-45 FT-IR with a Tracer GC/FT-IR accessory. The spectra
acquired in both laboratories matched uniquely each MI-IR spectram with its corresponding condensed-
phase spectrum. Only minor expected differences were noticed between the corresponding matrix-isolation
and condensed phase spectra. Since independent sources of standards and different instruments were used to
generate the two sets of IR spectra, the conclusion was that the identity of each spectram was correct.
7
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SECTION 3
Results
The low-resolution MS and mitrix-isolation IR spectra and their respective peak tables are arranged
together by IUPAC congener number.
The IR absorb an ce for each congener ranged from 0.05-0.16 AU. AD ipectra were normalized so that
the most intense peak had a value of 1.0 All.
The threshold value oftheIR spectra was chosen to be at least three times the spectral noise level in a
dear region of the spectrum. The threshold value of the IR peak table was chosen so that the peak table
included the 20 to 30 most Intense peaks.
The mass spectral intensity tables were generated using RTE-A software without background
correction. The mass threshold was set at 50 counts.
8
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References
1. Report of an EPA Risk Assessment Forum Workshop on Toxicity Equivalency Factors for Poly chlorinated
Bipbeayl Congeners, Office of Research and Development, Ui. Environmental Protection Agency, February
1991.
2. MJ). Erickion. Analytical Chemistry of PCBi. Botterworth Publisher*, Bortan, 1986.
3. D. Mackay, "Environmental Pathways of Poiychlorinated Biphenyls," in Comments and Studies on the
Use ofPolvchlorinated Biphenvl* In Response to an Order of the United States Court of Appeals for the
District of Columbia Circuit. VoL IV, Submitted by the Utility Solid Waste Activities Group, the Edison
Electric Institute, and the National Rural Electric Cooperative Association to the U.S. Environmental
Protection Agency, February 12,1992a, p. 61.
4. D J. Hanson, "Dioxin Toxicity: New Studies Prompt Debate, Regulatory Action", Chemical &
Engineering News, August 12,1991, pp. 7-14.
5. "New Agency PCB Risk Assessment Urged by Former EPA Deputy Administrator", Inside EPA, July 26,
1991, p. IS.
6. K. BaBschmiter, et aL, Analytical Chemistiy 1980,302, pp. 20-31.
7. S. Safe, et aL, Canadian Journal of Physiological Pharmacology, 1982,60, pp. 1067-1064.
& H. Yoshlmura and N. Ozawa, Chem. Pharm. BulL, 1978,26, pp. 1215-1221.
9. E. Scfanhe and R. Malisch, Fresenius Z. AnaL ChenL, 268(4), pp. 260-267; Chem. Abrt 81:115377t (1974b).
10. Test Methods for Evaluating Solid Waste. 3rd e(L, SW-846, U.S. Environmental Protection Agenqr, Office
of Solid Waste and Emergency Response, 1986.
11. DX. Schub et aL, Science and Technology, 1989,23, pp. 852-859.
12. K.R. Thornburg et aL, Proceedings of the 39th ASMS Conference on Mass Spectrometry and Allied
Topics, pp. 698-699.
13. D.W. Kuehl et aL, Proceedings of the 39th ASMS Conference on Mass Spectrometry and Allied Topics,
pp. 702-703.
14. MJD. Mullin et aL, Environmental Science and Technology, 1984,18, pp. 468-476.
15. N. Smyrl, private communication, 1993.
9
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IUPAC Congener Ha 1
2-CHLOROBIPHENYL
CAS No. 2051-60-7
Matrix-Isolated Infrared Soectrum
1 l I I I | I l r< | l l l l | I
i i I i r
1 III
TT
A
1 I I I
4000
1 1
3500
i r
I 1 1 • * I
3000 2500
Wavenumber, cnvl
t-j
2000
i i i r
1500
1000
em-1
em-1
Iriffi
68356
0.21
771.70
024
1131.00
0.11
147128
054
69951
0.68
101159
0.13
1428.49
030
1502.66
0X6
750.19
1.00
103957
036
143859
0.07
1596.49
0X5
76256
0.09
107836
0.18
1453.14
0.06
1605.17
0.05
sstl ate
304036 0.07
M ass Spectrum
50
[pfo abun
39.10 0.05
50.00 0.08
51.00 0.09
62.05 0.04
100
150 200
mfe Ratio
250
300
350
400
450
500
63.05 o.i5
74.05 0.08
75.05 0.12
7655 0.26
77.05 0.05
126.05 0.06
127.05 0.04
150.10 0.06
151.10 0.17
152.10 0.55
153.10 030
188.10 1.00
mn aba.
189.10
190.10
0.13
0.32
-------
IUPAC Congener No. 2
3-CHLOROBIPHENYL
CAS No. 2051-61-8
CI
b-o
Matrix-Isolated Infrared SDeetium
I ! I I | l I ir I | 1
i I
> j I 1 1 t { 1 I 1 1 | 1 I I 1 |
s-i
111!
4000 3500
| I I I 1 1 I I j 1 I I
3000 2500
Wivonumber, cm-1
1000
soti ate
685.76 0.25
698.68 052
756J2 1450
79123 027
79957 0JJ1
ml ate
884.17 0.10
1023.43 04)6
104859 0.16
1078J2 0.07
1084J70 0.13
1101.72 0.11
110658 0.08
1409.08 021
1455.45 0.08
1464.45 025
Otl Bte
1477.66 0.44
1570-60 0.32
159737 0.43
304054 0.09
3074.33 0.08
ssti ate
Mass Spectrum
w
m
IJ . .
i * ¦ * ¦ - - - - -
m
m
•
50
50.10 0.08
51.10 0.09
63.05 0.14
71.05 0.05
100
150 200
nife Ratio
250
300
350
400
mft ¦JfauL
74.05 0.07
75 JOS 0.12
76J05 026
7655 0.05
126.05 0.05
150.10 &06
151.10 0.16
152.10 054
EH «faon
1S3.10 027
188.10 1.00
189.10 0.13
190.10 0.33
450 500
atom.
-------
IUPAC Congener No. 3
4-CHLOROBIPHENYL
CAS No. 2051-62-9
KK)
Matrix-Isolated Infrared Soectium
¦ ¦ I 1 I I I I ¦¦¦¦' I I
I
N
© "
3500
3000
2500
2000
1500
4000
1000
Wavenumber, cnvl
on-1 «bs
698.17 0.31
760S3 0J1
83346 0-54
100939 0.38
dU ate
1019.19 0.11
1078.61 045
1087.03 0.10
109755 0.63
cm-1
1401.0B 0.13
145224 0.09
1482.42 1.00
1490.42 0-36
snJ ate
1508.57 0.09
159720 0.05
1606.02 0.11
3040.90 0.12
SStl ate
306326 0.05
3074.14 048
Mass Spectrum
u
50
m ateo.
39.10 0.04
50.10 0.08
51.10 0.10
63.05 0.13
100
150 200
mtt Ratio
250
300
350
400
450
500
tnft abun
74X5 0.07
7545 0.11
76.05 024
7745 0.05
rtxin
94.10 0.04
12645 045
12745 0.04
150.10 046
EH abun
151.10 0.15
152.10 0.49
153.10 024
188.10 1.00
mfe abun
189.10 0.13
190.10 0.31
-------
IUPAC Congener No. 4
2J'-DICHLOROBIFHENYL
CAS No. 13029-08-8
CI o
Matrtx-teofated Infrared Spectrum
I J II | I 111 J l J l I |
ft.
I i < i < l> i i 1 | J 111
A
i i i i { i ) i 'I "{ i i i i { i i i i {
4000 9500 3000 2500 2000
Wavenumber, cm-1
1500
1000
em-1
As
cm-1
cm-1
fibs
em-1
¦Abbbmubmbbi
673-69
0.08
762.58
0.44.
1064.63
0.39
1447.42
0.09
1593.60 0.06
705X0
020
774.46
0.11
1089.46
0.13
1462.12
0.42
1603.66 0.06
727.58
0.05
1008.37
0.12
1131.76
0.10
146747
0.44
735.94
0.15
1032,49
0.10
1429.74
027
1493-88
0.13
752.64
1.00
1041.38
021
1435.43
021
1575.00
045
Mass Spectrum
.
SO
mft gftun
50.00 0.08
51.00 0.08
62.05 0.07
63.05 0.09
74.05 0.11
75.05 025
100
150 200
mfe Ratio
250
900
350
400
450
500
mfi abun
7645 0.14
83.10 0.14
94j00 0.04
98.00 0.05
99.00 0.06
111.05 0.05
Ml atxm
125.05 0-05
1264)5 0.05
150.10 0.15
151.10 0.22
152.10 1.00
153.10 0.13
afaun
186.10 0.05
187.10 0.45
188.10 0.07
189.10 0.13
222.05 0.61
223.05 0.08
lift abon
224.05 0.40
225.05 0.05
226.05 0.06
-------
IUPAC Congener No. 5
23-DICHLOROBIPHENYL
CAS No. 16605-91-7
Matrix-Isolated Infrared Soecuum
l I i I ( i l i l | i
| I J I J j I I 1 I j I I I i | i I j I
i r
"HP
3500
A
j*-H-
I
i r
4000
i I i j i I I i |
3000 2500 2000
Wavenumber, cm-1
1500
1000
em-1
cm-1
em-1
em-1
em-1
69931
0X0
600.17
0X9
1152X6
0.08
1501X7
0.15
3069X6
0.10
721J38
0.14
806X3
0.06
1159.59
0.19
1563.01
0.18
3073X3
0.10
740X3
0.12
1044X6
0X6
1195.47
0X0
1587X8
0X1
3093X2
0.06
75926
1.00
1062.45
0X3
1409.98
0X1
1603.07
0.06
790X4
0.42
1120X8
0X7
1453.17
0X2
3040X3
0.06
50
50.00 0.08
514)0 0.09
62X5 0.06
63.05 0X8
74X5 0.11
100
150 200
mfz Ratio
250
300
350
400
450
500
mn afaffl,
75X5 022
76X5 0.14
83.10 0.15
94X0 0.04
98X0 0.05
abun
99X0 0.06
111X5 0.04
126.05 0X5
150.10 0.16
151.10 0.23
152.10 0X3
153.10 0.10
186.10 0X8
222X5 1.00
223X5 0.12
ott afain-
224.05 0.64
225.05 0.07
226.05 0.09
-------
IUPAC Congener No. 6
23'-DICHLOROBIPHENYL
CAS No. 25569-80-6
Matrix-Isolated infrared Spectrum
' ¦ I 1 I jl I lr
¦ r
1 { I I 1 I | 1 I 1 1 | t I 1 I | I 1
I I I I { I I I I J
4000 3500
^jj—
3000 2500
Wavenumber, crrvl
2000
1000
CTH
em-1
ate
¦ cm-1
ate
em-1
abs
66847
0.10
789.19
047
108248
0.11
143949
049
1562.19
0.12
67348
0.10
807.17
048
1102.72
040
1445.62
048
156546
0.12
695.67
0.40
888.79
0.13
1129.45
0.08
146345
0.78
157749
046
70649
049
102543
0.16
1244.15
0.09
146744
045
1594.70
040
733.45
0.08
1040.64
0.40
125140
0.07
148048
0.13
160449
049
75640
140
107540
046
1410.41
044
149249
0.09
Mass Spectrum
50
100
150 200
mfe Ratio
250
300
350
400
450
500
39.10 0.04
50.10 04)9
51.10 049
62.05 0.07
63.05 0.10
74.05 0.12
Oft «bun
7545 047
7645 0.14
86.10 0.04
87.10 0.04
93.10 0.15
9440 0.05
mtz gfaun
98.00 0.05
99.00 0.06
11145 046
12545 045
12645 046
150.10 0.15
gfa""
151.10 0.23
152.10 040
153.10 0.11
186.10 047
222.05 140
223.05 0.13
224.05 0.63
225.05 0.08
226.05 0.10
-------
IUPAC Congener No. 7
2,4-DICHLOROBIPHENYL
CAS No. 33284-50-3
Matrix-lsofafed Infrared SoectRim
I 1 1 I \ 1 l Fi | < l l l j I i 1
| I I I I {[ I I 1 I | 1 I I
4000
I 1 J | I I 1 I J I I I I J
3000 2500 2000
Wavenumber, cm-1
sm-1
flte
sm-1
ate
cm-1
ate
cm-1
ate
cm-1
ate
700.04
0.77
671.08
0.19
1138X3
0.06
1448X9
0X0
1582X1
0X8
718X8
0.08
1009.75
0X2
1147X5
0X5
1469X4
1X0
1592.11
0X4
765X0
0.60
1037.40
0X7
1375X3
0.15
1476X3
0X5
1607X7
0.17
817X8
0X0
1075X4
0X1
1381.63
0X0
1506X7
0.05
3040X7
0.08
825.15
0.41
1107.77
0X3
1441.04
0.15
1555.16
0.14
Mass Spectrum
50
"ft abu"
39.10 0X4
S0.10 0.08
51.10 0.09
62.05 0.06
63.05 0.08
100
150 200
iNz Ratio
250
300
350
400
450
500
ntiz afaon
74X5 0.11
75.05 0.20
76X5 0.13
83.10 0.13
94X0 0.04
abun
98.00 0.06
99X0 0.07
111X5 0X5
126.05 0X5
150.10 0.15
151.10
152.10
153.10
186.10
999 r*.
021
0X3
0.10
0.09
1.00
"ft abtjn
223.05 0.13
224.05 0.64
225X5 0X8
226.05 0.11
-------
IUPAC Congener Na 8
2.4*-DICHIX«OBIFHENYL
CAS~Nd 34883-43-7
Matrix-Isolated Infrared Spectnim
» I l l | l i n j l l 1 I { l
1 r
I | I I I I | I I I I | I I I 1
i i » i l i t i i| i i i i I < i i i I 'TV iTv'S1 r*rv fn*!*?
4000 3500 3000 2500 2000 1500 1000
Wavsnumber, cm-1
SZLJ ate
704.72 0.36
716.26 0.09
734£7 0.11
75736 1.00
774.82 0.25
830.65 0.66
100221 0.05
100733 0.50
102130 026
1039.76 0.43
£3h3
1074.19 030
109831 035
1130.02 0.11
1397.48 0.19
143635 0.15
SXfcl St&
1445.18 0.12
147139 033
150335 0.46
1595.68 0.16
1604.47 0.14
flit] flfeS.
Mass Spectrum
¦
m
»
.. i ,1.1. *.l% * .1. ¦
W-
1
* ' • • - - - -
m
50
flft i, . JfaGL
50.00 039
51.00 039
62.05 0.07
63.05 039
74.05 0.11
100
150 200
mfe Ratio
250
300
350
400
nft ihm
7535 037
7635 0.14
93.10 0.15
9430 0.05
9830 6.05
mft atmzL
99.00 0.06
11135 0.06
12535 035
12635 036
150.10 0.15
mfz abun
151.10 032
152.10 037
153.10 0.11
186.10 0.07
22235 1.00
450
Oft
500
abun
223.05 0.14
224.05 0.66
225.05 0.08
226.05 0.10
-------
IUPAC Congener No. 9
2^-DICHLOROBIPHENYL
CAS No. 34883-39-1
Matrix-Isolated infrared Spectrum
a
i i i i I i I r i 1 i i i i j i i i i I i i i i I
'|S
13
i » i i \ i i »
'I i i i i j i i i i I'
3000 2500 2000
Wavenumber, cro-1
em-1
abs
em-1 abs
em-1
abs
em-1
AOO £C
W3.P9
0.68
1019.40 029
1136-34
0.11
14634)0
1.00
1590.70
022
76655
0.43
103754 039
1246-95
0.07
1476.99
0.28
160334
0.08
81553
0.37
1078.01 0.13
138424
034
1504.18
0.09
303620
0.05
886J1
0.14
1100.98 0.69
1447.85
031
1558J4
0.14
so
e
"
•
I a
*
I
o
Ur^
50
mfr abun
39.10 0.04
saoo 0.09
51.00 0.10
624)5 0437
63.05 0.09
74.05 0.12
100
150 200
itfz Ratio
250
300
350
400
450
500
»"* ahun
754)5 Oil
764)5 0.15
86.00 0.04
93.10 0.14
94.00 0.05
96.00 0.06
mtz afrun
99.00 0.07
1114)5 04)5
1264)5 04)6
150.10 0.16
151.10 021
152.10 0£3
mn afeuo.
153.10 0.10
186.10 0.08
222.05 1.00
223.05 0.13
224.05 0.64
2254)5 0.08
abun
226.05 0.10
-------
IUPAC Congener Na 10
2.6-DICHLOROBIPHENYL
CAS No. 3314645-1
Matrtx-tsolated Infrared Spectrum
1 1 I 1 I 1 Ml 1 ' ' t ' ' '
I i i i l | I I I I |' i
3000 2500 2000
Wavenumber. cm-1
cm-1
abs
cm-1
cm-1
em-1
B&R
697.97
0X2
1010X5
0.06
1193.54
0X9
1502X2
0.06
72934
0X2
1037X6
0X6
1253.01
0.05
156243
0X8
761.47
0.63
1075.55
0.13
1428.33
1.00
1580X9
0.06
781X5
0X3
1113X8
0.15
1441X7
0.64
1593.41
0.05
793J91
0X1
1153X8
0.08
1448.78
0.19
1595X4
0.05
cm»1 abs
1606.17 0.17
Mass Spectrum
50
mfi abun
39.10 0X4
50.00 0X8
51.10 0X9
62.05 0.07
63.05 0.08
74.05 0.12
100
150 200
m/z Ratio
250
300
350
400
450
500
afau"
75.05 023
76X5 0.12
86X0 0.04
87.10 0.04
93.10 0.16
94.00 0.05
abun
96.00 0.06
99.00 0.07
1114)5 0X6
126.05 0.06
150.10 0.17
151.10 024
I!£Z abun
152.10 0.91
153.10 0.11
186.10 0.09
187.10 0.06
222.05 1.00
2234)5 0.13
mtz abun
224.05 0.64
225.05 0.08
226.05 0.10
-------
IUPAC Congener Na 11
33'-DICHLOROBIFHENYL
CAS No. 2050-67-1
Matrix-Isolated infrared Spectrum
I i i i i I i i ri I i i i i i i
I
4000
~l i i l j 1 i i i |
3000 2500 2000
Wavenumber, cm-1
1500
1000
cm-1
cm-1
em-1
cm-1
690.15
0.37
795X5
0.12
1048.08
0X5
1468.03
0X4
700X5
0.06
835X2
0.14
1083X5
0.14
1484.13
0.06
722.45
1.00
841.12
0.09
1105X2
0X7
1566X6
0X3
780.28
0.76
879.16
0.15
1400X2
0.21
1597.19
0X2
a flfeS.
Mass Spectrum
50
lift JbflL
50.10 0.10
51.10 0X9
62-05 0X7
63.05 0X9
74.05 0.11
100
150 200
rttfz Ratio
250
300
350
400
450
500
mn BbsL
75X5 <5-28
76X5 0.15
93.10 0.14
94X0 0.05
96X0 0.05
nft ttun
99.00 0.05
111X5 0X6
125X5 0X4
126X5 0X5
150.10 0.14
JD& abuo.
151.10 0.21
152.10 0X3
153.10 0.11
166.10 0.07
222,05 1.00
s&uq.
223X5 0.13
224.05 0.65
225.05 0.08
226.05 0.11
-------
IUPAC Congener Ha 12
3,4-DICHLOROBIFHENYL
CAS No. 2974-92-7
CI
M
©
Matrix-Isolated Infrared Spectrum
1 I I I |
4000 3500
\ I I I I | 1 I I 1 j
3000 2500 2000
Wave number, cm-1
1500
1000
cm-1
em-1
abs
em-1
fl&S.
688.18
0.12
884.14
0.07
1138.34
022
1467.65
1.00
69929
0.20
1024.18
0.05
1139.52
021
148222
0.14
761.38
0.50
1033.15
023
1379.43
0.19
1559.02
0.08
825X9
0.19
1051.32
0.05
1452.74
0.05
159646
0.07
Hll*1
160320 0.05
Mass Spectrum
50
fl6yn»
39.10 0.04
50.10 0.08
51.10 0.09
62.05 0.06
63.05 0.08
100
150 200
mfc Ratio
250
300
350
400
lift fibUQ-
74.05
7545
76.05
93.10
94.00
0.10
0.19
0.15
0.13
0.04
afaun
98.00 0.05
99.00 0.06
111X55 0j06
126.05 0.05
150.10 0.14
"faun
0.19
0.81
0.10
0.09
1.00
151.10
152.10
153.10
186.10
27? 05
450
500
gbun
223.05 0.13
224.05 0.66
225.05 0.08
226.05 0.11
-------
IUPAC Congener No. 13
3,4 '-DICHLOROBIPHENYL
CAS No. 2974-90-5
Matrix-Isolated Infrared Spectrum
lit
1 I * 1 1 * I
I | I I I I | I I
¦* **
lo-
rn
i i i
AL
> I ) I I I I { I
3500 3000 2500
Wavenumber, cm-1
juLl-
i r | i i i i | i i i i | i i i i
4000
2000
1500
1000
CTTtJ -
fibs
cm-1 abs
cm-1
6fc£
cm-1
«2S
em-1
abs.
655.37
0.10
822.23 0.10
1083.62
0.32
1462.07
0.76
1582.60
056
693.33
0.27
625J9 0.10
1094.11
0.94
1475.66
0.79
1603.45
0.69
711.73
0.12
832.32 0.77
1098.25
1.00
1480.35
0.74
1902.69
0.07
722£5
0.19
886.67 0.09
1272.70
0.05
1501.04
0.51
785.01
0.83
1015.58 057
1391.51
0.31
1551.98
0.06
803.95
0.99
1037.60 029
1430.33
0.08
1565.09
0.35
Mass Spectrum
w
1 "
m
m
1
9
«
_ i.f.1. —
i
I
80
M atom
50.00 0.07
51.10 0.06
62.05 0.05
63.05 0.07
74.05 0.09
100
150 200
mft Ratio
250
300
350
400
450
500
sbvn
7SJ0S 0.22
76.05 0.11
93.10 0.12
99.00 0.04
111.05 0.05
«faun
12&05
150.10
151.10
152.10
153.10
0.04
0.12
0.19
0.72
0.09
afaun
186.10 0.09
222.05 1.00
223.05 0.13
224.05 0.64
225.05 0.08
>bun
226.05 0.10
-------
JUPAC Congener Ha 14
34-DICHLOROBIPHENYL
CAS No. 34S83-41-5
Matrfc-lsofated Infrared Spedrum
" ¦ I t 1 | f t lrl ) I I 1
5 J
a
a
I i i i i I i i i ii I i « i i t i
i i
4000
i J i i l i [ I I I I |"
3000 2500 2000
Wavenumber, em-1
1500
1000
cort ate
685.86 0.11
69723 0.43
761-32 022
806.48 0.61
82129 029
«»-l abs
85951 025
877.42 0.07
1067.95 0.14
109825 0.16
1125.79 0.17
cm-1 ate
1285.17 0.11
1387.05 0.19
141127 029
1432.67 025
145527 0.05
em-1 abs
1500.15 021
156126 1.00
1587.64 026
1596.03 050
161121 025
cw-1 abs
304724 025
Mass Spectrum
50
Ml afe&L
39.10 0.04
50.10 0.10
51.10 0.10
62.05 0.07
63.05 029
74.05 0.12
100
150 200
mttRaib
250
300
350
400
nrt abwn
7525 022
7625 0.16
86.10 0.04
83.10 0.15
9420 025
98.00 0.06
9920 0.06
11125 026
12625 025
150.10 0.15
151.10 021
152.10 024
fitt M flbun.
153.10 0.10
186.10 0.09
222.05 120
223.05 0.13
22425 0.65
225.05 0.08
450
500
mft flbun.
226.05 0.10
-------
IUPAC Congener Na 15
4,4'-DICHLOROBIPHENYL
CAS No. 2050-68-2
a-
^
a
Matrix-Isolated Infrared Soectrum
< » i i I i I Ji| J l l l J I l l l
5 -
<4
T-T-T
ryTTTTjTTTTyrnrnrp
3500 3000 2500 2000
Wavenomber, cnvl
I 1 1 1
ij
4-
II
4000
1500
i i | r
1000
abs
707.25 0.29
815.05 0.79
847.75 0.10
1007.07 022
sntl ate.
102236 0.08
1097.41 1.00
139253 0.09
1477.70 0.76
SB.fcJ BkS.
1488.41 0.65
Mass Spectrum
50
mrz abun
50.10 0.08
81.10 0.07
62.05 0.05
63.05 0.07
74.05 0.09
100
150 200
mfz Ratio
250
300
350
400
450
500
mfz abun
75.05 0.22
764)5 0.11
93.10 0.11
99.00 0.04
111.05 0.06
mtl abun
1264)5 0.05
150.10 0.11
151.10 0.18
152.10 0.70
153.10 0.09
m abun
186.10 0.06
222.05 1.00
223.05 0.13
2244)5 0.63
2254)5 0.08
«"* abun
226.05 0.10
-------
IUPAC Congener No. 16
W '3-TRICHLOROBIPHENYL
CAS No. 38444-78-9
a a ci
Matrfr-lsolated Infrared Spectrum
I i l I j 1 I l I | I I I I j I I I I { I I I I j I 1 l I | I
JL
l I l | l l l l | I I i l I l l l l | I I I I | I I
4000
3500
3000 2500
Wavenumber, cm-1
2000
1500
ate
snJ—
cm-1
ate
cm-1
ate
655X6
0.05
756.60
1.00
1055.39
0X5
1255.16
0.05
1566X6
0.10
66154
0.09
787.65
0.48
1081.05
022
1411X2
0X5
1573X7
0.11
699.49
024
810.71
0.39
1123.15
0.11
142228
0.06
1585.74
0.08
722X3
0.32
1028.75
0.08
1135.06
0.06
1440.77
0X3
159156
0.19
732.18
0.20
1035X0
0X4
1156.76
0.18
1449X8
0.61
1600.46
0X8
746.76
0.17
1042X0
0.16
119624
0.17
1486.48
0.14
Mass Spectrum
' * * T « '
w
I
iu.Liti.», I. '
I
m
50
50.00 0.12
51.10 0.10
61.05 0.07
62.05 0.11
63.05 0.07
73.05 0X7
74.05 0.22
100
150 200
mtz Ratio
JBH fifeSL
75X5 0X8
85X0 0.06
86X0 0.08
9220 0.08
93X0 0.22
94X0 0.07
98X0 0.12
250
an abuiL
99.00 0.12
110X5 0.18
111X5 0.14
123X5 0X7
149.10 0X7
150.10 0.34
151.10 0.27
900
350
400
mtz ataffl.
186.10
187.10
188.10
221.05
222.05
223.05
256.05
1.00
0.14
0.32
0.52
0.09
0.33
0.64
450
JD&.
500
abun
257.05 0.09
258.05 0.62
259.05 0.08
260.05 0.20
-------
IUPAC Congener No. 17
2^',4-TRICHLOROBIPHENYL
CAS No. 37680^6-3
a a
Matrix-Isolated Infrared Spectrum
s
e
•f
o
3500
3000
4000
2500
2000
1500
1000
Wgvenumber, cm-1
em-1
Btff
cm-1
cm-1 i
Bbs
cm-1
681.40
0.10
100746
040
109529
0.07
1385.08
0.18
1557.73
0.12
73145
0.41
1028.14
045
110543
041
1435.65
042
159029
046
758.04
0.86
104022
0.18
1131.10
0.07
1444.62
027
160345
0.11
821.15
041
106248
0.44
1142.00
0.11
146348
1.00
306945
046
86946
0.22
1088.17
044
1374.74
0.14
1496.43
022
Mass Spectrum
50
fibm.
5040 0.10
5140 0-08
61.05 0.06
6245 0.10
63-05 0.06
73.05 046
74.05 020
100
150 200
nV2 Ratio
7545 034
86 JO 0.07
82.10 0.07
9340 021
94.00 0.06
96.00 0.11
99.00 0.11
250
[IrtL. JtiyllL
11045 0.17
11145 0.12
123.05 0.06
149.00 0.07
15040 0.33
151.10 0.26
186.00 140
300
350
400
450
500
JD& stem.
18740 0.14
18840 042
22145 032
22245 0.06
22345 020
25645 0.74
25745 0.10
fi&UO-
258.05 0.72
259.05 0.09
260.05 023
-------
IUPAC Congener No. 18
2^\5-TRlCHLOROBIFHENYL
CAS No. 37680-65-2
Matrix-Isolated Infrared Spectrum
i i • i it | l I I l | I 1 I l I
a a
0-b
a
i i i { i
i r
I 1 M'
i i I I I i i i i | i i i i | i i i i | r
4000 9500 3000 2500 2000
Wavenumber. cm-1
em-1
ite
em-1
em-1.
em-1
em-1
680.46
0.11
826.68
021
107022
0.18
13874)1
021
1490.10
027
72459
0.17
88628
0.15
110027
0.71
1433.49
027
1559.78
0.06
735.49
023
101829
0.61
113128
0.13
144421
020
15754)8
0.05
75850
1.00
103725
028
113728
024
146324
025
1590.43
0.11
816.47
053
106355
020
1248.72
0.12
1482.69
0.12
Mass Spectrum
50
0.10
0.07
04M»
0.10
04)5
0.06
020
100
150 200
mtt Ratio
250
300
350
400
50.00
51.00
61.05
62.05
63.05
73.05
74.05
an abun
7525 026
8520 0.05
864)0 0.06
874)0 0.05
92.10 04)7
934)0 0-23
944)0 0X7
mtz
jbulL
974)0 0.04
98.00 0.11
99.00 0.12
1104)5 0.19
1114)5 0.13
1234)5 04)6
149.10 04)6
ahun
150.10
151.10
186.10
187.10
1884)0
2214)5
2224)5
0.34
027
1.00
0.14
022
0.40
0.06
450
500
mo atis-
223.05
256.05
257.05
258.05
259.05
260.05
0.24
0.70
0.08
0.67
0.08
0.21
-------
*fW22JS
o o o o -* •* o
(hUiiSoiuioS
p o o o o o o
icaSoS^S
88888M
&8lS8S3fe
oooooool
itisghJSgfcl
828£823
U 1a li 1* o K K
OOOOUtfivi
-* o o o o o o
8&kSS8Si;
SgBBSsis
S S S 8 S o o I
oooooool
S biiiStete El
S8S
o o o
tsgss
23231
to to to to to
ttonoK
o o -* p o
fefckfcS
•4 «A «A «i -A in
SSgglfi
iisSs&is
O O O O o T
ssfcisir
il§8K
Sfcfciafc
o o o o o
R«1. Atooftance
0.2 0.4 0.0 OA
o o o o o
2<3fei*<5
-------
JUPAC Congener No. 20
233 '-TRICHLOROBIPHENYL
CAS No. 38444-84-7
Matrix-Isolated tnfrared Spectrum
ct ci ci
i i i i i i
iiit)
4000 3500
| I I I I | I I I I |
3000 2500 2000
Wavenumber, cm-1
1500
1000
em-1
ito
em-1
em-1
ft?
em-1
em-1 abs
695.41
0.41
838.47
0.13
112457
0.12
•1431.70
0.17
1586.69 0.35
702X1
0.51
886.72
0X9
1158.07
026
1451.77
0X7
160320 023
726.64
027
1044.30
0.46
1195.43
0.16
1481.59
0.13
747.46
0.48
106257
028
1398.63
051
149053
0.07
781.11
1.00
108625
0.19
1407X3
0.19
156122
051
795.15
0.35
1100.70
0.34
1427.56
0.17
1577.46
0.37
MassSpcctrurn
50
0.11
0.08
0.06
0.10
0.06
0.06
0.19
50.10
51.10
6% JOS
62X5
63.05
73X5
74.05
100
150 200
m/z Ratio
250
300
350
400
102 tiSSL
75X5 0.37
85X0 0.05
86.10 0.06
87.10 0.05
9220 0.08
93.10 0.20
94X0 0.06
n& j&ud.
97X0
98.00
99.00
110X5
111X5
123X5
128X5
0.04
0.10
0.11
0.16
0.13
0X5
0X4
149.10
150.10
151.10
185.10
186.10
187.10
188.10
0.06
0.32
024
0.05
0X8
0.12
028
450
500
Wtz BbZL
220X5 0.05
256X5 1.00
257X5 0.13
258X5 0X7
259X5 0.12
260.05 0.31
-------
IUPAC Congener No. 21
23.4-TRIOQjOROBIFHENYL
CAS No. 55702-46-0
a ci
Matrix-Isolated Infrared Spectrum
II I II I I l Fl | | |
w
y
I j i i j j j i i i j
3000 2500 2000
Wsvenumber, cm-1
1500
1000
em-1
abs
cm-1
ate
cm-1
699.98
0.72
823.61
052
1098.49
0.09
136456
0.70
7304)7
0.07
837.18
0.55
1159.40
0.08
1444.52
1.00
7604)7
0.45
1026.75
0.11
117659
0.41 .
1450.05
051
776.49
054
107655
0.05
1295.09
04)6
15824)3
o
8
cro-1 ate
1596.48 0.05
1607.42 0.06
3038.64 04)8
Mass Spectrum
50
"fa""
39.10 0.05
50.00 04)9
51.10 0.11
61.15 04)5
62.05 04)7
63.05 04)5
73.05 04)5
100
150 200
m/z Ratio
250
300
350
400
450
500
gbun
744)5
754)5
86.10
92.10
83.10
944X3
974)0
0.14
0.23
0.05
0.06
0.19
0.06
0.05
WH B&UQ.
98.00
99.00
1104)5
1114)5
149.10
150.10
151.10
0.10
04)7
0.16
0.11
0.06
0.30
051
ma abuo.
185.10
186.10
187.10
188.10
2204)5
222.05
256.05
0.05
052
0.11
056
0.07
0.04
1.00
abun
257.05 0.13
258.05 054
259.05 0.12
260.05 051
-------
IUPAC Congener No. 22
23.4*-TRICHLOROBIPHENYL
CAS No. 38444-85-8
CI Cl
Matrix-Isolated Infrared Spectrum
I i I l | I i ri { i
j I I I l 11 l i I I | I I l
*.
I I i i i r
II Jl_ 1
l l l l | l l l l | l l i l | l l l l | I l l I | l I I I | l I
4000 3500 3000 2500
Wavenumber, cm-1
2000
1500
1000
em-1
cm-1
em-1
em-1
fltffiL
667X8
0.10
804.20
0X1
1032X4
0.06
1159X6
0X0
1501X5
0.41
694.49
0X2
818X3
0.08
1038X8
0.46
1195.47
0X0
155950
0.10
717X6
0.13
824.67
0.06
1059.62
0.18
1392X3
0.45
1585X2
0X6
727.15
0.19
833.71
0.49
1094X5
1.00
1419X1
0.43
1591X3
0X8
746-77
0.12
1016.77
0.40
1104.02
0.10
1452X8
0X9
785X7
0X7
1030X6
0X6
1119.70
0.17
1494X4
0.63
itessspectrum
50
50.10 0.11
51.10 0.08
61.15 0.06
62.05 0.09
63.05 0.06
73.05 0X6
100
150 200
mte Ratio
nft ah/n
74X5 0X0
75X5 0X5
66.00 0.06
92.10 0.08
93.10 0.20
94X0 0.06
250
mfi abun
98.00 0.10
99.00 0.11
110X5 0.17
111X5 0.13
149.10 0X6
150.10 0.31
300
350
400
450
500
""ft abun
151.10 0.25
186.10 0X1
187.10 0.11
188.10 0X6
256X5 1.00
257X5 0.13
"fa afaun
258.05 0X4
259.05 012
260X5 0X1
-------
IUPAC Congener No. 23
23>TRICHLOROBIPHENYL
CAS No. 55720-44-0
Matrix-Isolated Infrared Soedrum
| l l I 1 |i ill i
ci a
tf-o
a
I i i i i I i i i i I i i i i
iiijiii
i i i i I i i i
4000 3500
A
i | i i i i | i i r~ i | i r i i
3000 2500 2000
Wtv® number, cm-1
L aIjJL Jl
L_l.
1500
A
i i I i i i
1000
cm-1 gbs
699.44 054
766.15 0.73
em-1
em-1
em-1
em-1
891.18
102748
0.06
0.10
1191.40
1247.16
0.18
0.06
1421.42
145754
0.16
0.09
1601.11
304257
0.06
0.07
815J7 0.26
836.82 0.37
865.05 0.28
88359 0.08
104324
109358
1121.07
1142.18
o o o o
1288.64
138451
1388.79
1414.08
o O O T"
1500.03
1554.33
1578.74
159052
0.29
0.64
0.29
0.18
MassSpectrum
50
mtz abUEL
39.10 0.05
50.00 0.10
51.00 0.12
61.05 0.05
62.05 0.08
63.05 0.06
74.05 0.16
100
150 200
mte Ratio
250
300
350
400
450
500
mft fifaun
75.05 0.25
86.00 0.06
82.10 0.07
9340 0.20
9350 0.06
97.00 0.05
9840 0.12
nft i .jUiUfl.
99.00 0.08
110.05 0.19
111.05 0.13
149.00 0.06
150.00 0.34
151:00 022
18540 0.05
mo ahm
186.00 0.86
187.00 0.13
188.00 029
21955 0.07
255:95 1.00
25655 0.13
25755 0.98
ffltt 8 bun
258.95 0.12
25955 0.32
-------
IUPAC Congener Na 24
23»6-TR2CHLOROBIPHENYL
CAS No. 58702-45-9
a CI
Matrfc-teoiated Infrared Spectrum
I I I I I I 1 V
a
i i | ii i i i | i i i
N
j 1 I I I j 1 I I I |
i r
Al
l { 1 I 1 I | 1 I II I* i
I 1 I I | I I
4000 3500
3000 2500
Wavenumber, cro-1
2000
1500
1000
em-1
cro-1
abs
cm-1
cm-1
cm-1
ate
698.49
0.77
812.05
0.42
1121.06
0.14
143358
1.00
159951
0.06
73755
0.11
631.72
024
116756
0.16
1451.77
022
160459
0.09
763.53
0.43
104853
0.43 "
118123
054
1499.04
0.08
3039.46
055
790-09
0.19
1075.77
0.05
138550
058
155521
0.07
Mass Spectrum
50
100
150 200
mfc Ratio
250
300
350
400
450
500
mft afaun
39.10 0.05
50.10
51.10
61.05
62.05
63.05
73.05
0.09
0.11
055
0.08
0.05
055
an abuo.
7455 0.17
7555 027
8550 0.04
8650 0.06
92.10 0.07
9350 0.18
94.00 0.05
BJtZ a&UDL
97X0 0.06
98.00 0.12
99.00 0.08
110.05 0.19
11155 0.13
12355 054
149.10 056
"ft abun
150.10 055
151.10 023
185.10 0.05
186.10 0.91
187.10 0.12
188.10 0.31
220.05 0.06
256.05 1.00
257.05 0.13
258.05 0.94
259.05 0.11
260.05 0.30
-------
Rel. Abundmoe
0.4 0.B
nw. WOnMnlOS
0.2 0.4 O.S
ppsagB
opUUU
vioiinoo
o o o o o o
ss^sgg
o «*«*«* O o
ooooww
p p p o p p
8S98k&|§a
1st
u
8
•A
8
tJk mJk mJk «A |A
S&&&88
ooooPP
fcfeisis-o
to wA mA +A mA w*
883828
b •« «> U U a
Ch o o o o o
-* o o o o o
8fc!S3fc!fe
8 "
8B8<$
safes
o o o o
Li U b •*
NUAU
•ispas!
JcStefefek
o o o o o o 1
feissfcfcfe*
illlll
issafei
oogppo
fclS&siiSS
fefegfcisfc
o o o o o o S*
pp-pppf §
rovioS^ui
•a •« «i «a|q
ssssi
fefefels
oooo ^
fefeSfc*
»
-------
IUPAC Congener No. 26
2,3'^TEUCHLOROBIPHENYL
CAS No. 38444-81-4
Matrtx-fsolated Infrared Soeetrum
1 i i n | i i i
|2
ff J
JL
i i i i i i
4000 3500
i r
i r
|[ I 1 1 I | I I I
| I I I J J I I I I |
3000 2500 2000
Wavenumber, cm-1
em-1
cm-1
tiff
em-1
As
envl
655X2
0.12
744.66
0X0
1086.46
0.13
1427.44
0.05
1590X8
0X2
665X0
0.06
789.48
0X7
1103.75
0X9
1458.74
1X0
1598.77
0.18
675X8
0.06
817X4
0X3
1137.66
0.18
1464.78
0X4
1603X5
0.19
680.45
0X6
853.40
0X2
1241.68
0.12
1473X3
0.16
3719.71
0.12
69655
0.49
882.49
0X1
1375.48
0.16
1485X8
0.12
718.44
0.06
1032X0
0X9
1385.09
0X4
1558.62
0X1
73924
0X4
1077X3
0.14
1414X4
0.13
1575X9
0.18
MassSpectrmn
50
lift flftun
50.10 0X9
51X0 0X6
61X5 0X5
62.05 0.08
63.05 0X5
73.05 0X5
74.05 0.16
100
J0&_
150 200
nvz Ratio
afaon
250
300
350
400
450
500
75X5 0.29
86.10 0.05
82.10 0.06
93.10 0.17
94.00 0.05
98X0 0.08
99.00 0.09
¦fa""
110X5 0.14
111X5 0.10
123X5 0.04
149.10 0.05
150.10 027
151.10 021
185.10 0.04
msc abuo.
186.10
187.10
188.10
220X5
256X5
257X5
258X5
0.75
0.11
0.24
0.04
1.00
0.13
0X5
vnfz flbun
259.05 0.12
260.05 0.30
-------
IUPAC Congener No. 27
23'^-TRICHLOROBIPHENYL
CAS No. 38444-76-7
ci ci
q-6
Mairtx-lsolated tnfrared Spectrum
I » I i | l l I l | I 1 » I | I < t I | 1 l I I | I l I 1 | I I
I < I I |
4000 3500
i i i | i i i t j i ~i 1 i | i r
3000 2500 2000
Wavenumber, cm-1
I • •
1500
cm-1
flfc
cm-1
cm-1
cm-1
ate
69531
053
80838
034
111837
0.05
143433
0.69
73635
033
102330
0.05
115333
0.06
144433
053
78239
1.00 ..
107957
0.15
1194.82
034
1561.58
038
79731
032
1098.67
035
141239
031
157573
036
r» '
1000
tfirl -Jto
159156 0.08
159437 0.08
Mass Spectrum
50
«nfe abun
50.10 0.11
51.10 0.08
61.15 0.06
62.05 0.10
63.05 0.06
73.05 0.07
100
150 200
mfc Ratio
250
300
350
400
450
500
m. atv"
74.05 030
75.05 0.37
66.10 0.07
87.10 0.05
92.10 0.08
93.10 0.18
98.00 0.11
99.00 0.12
110.05 0.19
1114)5 0.14
1234)5 0.06
149.10 0.07
mfc abun
150.10 033
151.10 035
186.10 0.92
187.10 0.13
188.10 0.29
2S6-05 1.00
mti atvn
257.05 0.13
258.05 037
259.05 0.12
260.05 031
-------
IUPAC Congener No. 28
2,4,4'-TRICHLOROBIPHENYL
CAS Ho. 7012-37-5
Matrix-Isolated Infrared Spectrum
l I l > j l > r I { I I I 1 | I I I I | I I I I Ij 1 1
I | I I I
£2«
»>< 1 | 1 I I I 1 I I | 1 1 I I J I I II
3500 3000 2500 2000 1500
Wavenumber, cm-1
flDJ abs.
732.39 0.06
73855 0.40
816.46 050
825.92 0.13
»"-1 abs
638.53 0.20
87227 0.11
1006.72 0.38
1022.18 0.14
em-1 abs
1073.90 0.13
1092.47 027
1098.71 0.59
1108.00 025
ffn*1 a&5
1147.78 0.05
1378.60 0.10
144127 0.10
1469.08 1.00
and ate
150353 0.11
Mass Spectrum
50
iutt atwn
50.00 0.10
51.10 0.07
61.05 0.05
62.05 0.09
63.05 04)5
73.05 0.06
100
150 200
mtt Ratio
250
300
350
400
an ttuo-
74.05 0.17
75.05 0.30
86.00 0.06
92.10 0.07
93.00 0.18
94.00 0.05
aft;"
98.00 0.09
99.00 0.10
110.05 0.15
111.05 0.11
149.00 0.06
150.00 027
ittz stem.
151.10 021
186.10 0.75
187.10 0.11
188.00 025
256.05 1.00
257.05 0.13
450
500
258.05 0.97
259.05 0.13
260.05 0.32
-------
IUPAC Cbogecer No. 29
2,4^-TRICHLORQBIPHENYL
CAS No. 15862-07-4
Matrix-Isolated Infrared Spectwm
4000
3500
I i i I i | i t i t
3000 2500 2000
Wavenumber, cm-1
1500
1000
67923 0.15
699 J81 0.46
76720 026
869.09 0.11
89133 0.17
1025.60 020
cmJ ate
1048.49 0.31
1092.65 0.41
114285 020
Shi B&S.
134926 0.19
1447.13 029
145623 1.00
""-1
MassSpectrum
50
Pft -JbflL
50X0 0.07
51.10 0.09
62.05 0.06
63X5 0.04
74.05 0.11
75X5 0.18
100
150 200
mte Ratio
250
300
350
400
450
500
frrt abun
86X0 0X4
92.10 0.05
93.10 0.16
94.00 0X5
97X0 0.04
98.00 0.08
nft afrun
99X0 0.05
110X5 0.13
111X5 0.09
149.10 0X5
150.10 025
151.10 0.17
EtZ at!U!L
185X0 0.04
186.10 0.70
187.10 0.10
188.10 022
220X5 0.06
256X5 1.00
m item.
257.05 0.13
258.05 0X5
259.05 0.12
260.05 0.30
-------
THPAPAihb>b*> Mft Ifl
CI
. Matrix-isolated Infrared Spectrum
o
I
3500
4000
3000
2500
2000
1500
1000
Wavanumber, em-1
em-1
em-1
em-1
em-1
698.24
030
833-11
14)0
1095.80
042
1389.68
0.15
159736
0.10
730.36 0.15
860.07
0.46
1144.63
0.11
1429.78
030
160631
020
766.16
0.54
1008.39
020
1184.77
025
1446.49
032
307132
0.09
802.78
0.32
1038.48
04)7
1245.36
0.14
1544.74
0.91
3093.40
0.06
81748
0.34
1075.38
0X7
1371.08
0.70
1581.21
0.90
Mass Spectrum
¦
m
I ¦ ¦ • ¦
—
m
•
'
50
Ml atom.
39.10 0.04
50.00 0JOB
51.10 0.10
61.05 0.05
62.05 0.07
63.05 0.04
73.05 0.04
100
IDfiL
150 200
rate Ratio
250
300
350
400
74.05 0.14
7SJBS 023
86j00 0.05
82.10 0.07
9340 0.14
97.00 0.05
98.00 0.10
Hi^j abun
99.00 0.07
110.05 0.17
111.05 0.12
123.05 0.04
149DO 0.06
150.10 028
151.10 0.19
toft abtio.
185.00 0.05
186.10 0.79
187.00 0.12
188.00 025
21935 0.07
221J5 0.04
256.05 1.00
450
500
abun
257.05 0.13
258.05 0.96
259.05 0.12
260.05 0.30
-------
IUPAC Congener Ho. 31
2,4'^TRICHLOROBIPHENYL
CAS No. 16606412-3
Matrix-Isolated Infrared Spectrum
o
N
O
A.
3500
4000
3000
2500
2000
1500
1000
Wavenumber, cm-1
cm-1
ate
cm-1
727.15
0.05
833.05
0.45
1078.08
0.11
1460.58
1.00
1591.64 0.08
73228
0.06
889.45
0.08
1096.17
0.96
1477.36
029
81622
0.40
1015.46
0.31
1136.18
0.12
149959
0.63
824.08
027
1027.04
0.62
1379.88
027
1557.42
0.08
Mass Spectrum
50
m& flfemL
50.10 0.10
51.10 Oj07
61.15 0j05
6245 0.08
83.05 0.05
73.05 0.06
74.05 0.17
100
150 200
mfz Ratio
250
300
350
400
450
500
an afesL
75.05 0.31
85.00 0.04
86.00 0.05
87.10 0.04
92.10 0.07
93.00 0.18
94.00 0.05
mft tttfn
88.00 0.09
99-00 0.10
110.05 0.15
111.05 0.11
123.05 0.04
128.05 0.04
128.95 0.04
«fa""
149.10
150.10
151.10
185.10
186.10
187.10
188.10
0.06
0.28
022
0.04
0.77
0.11
025
mtz abucL
220.05 0.05
256.05 1.00
257.05 0.13
258.05 0.96
259.05 0.13
260.05 0.32
-------
IUPAC Congener No. 32
2,4%6-TRICHLOROBIPHENYL
CAS No. 38444-77-8
Matrix-Isolated Infrared Spectrum
o
©
3500
3000
2500
1500
2000
1000
4000
Wavenumber. cm-1
cm-1
em-1
cm-1
cm-1
cm-1
6584)9
0.05
780.19
051
1079.41
0.13
1195.02
0.22
1504JO
025
671.40
0.07
787.66
14)0
1094.32
0.39
1399.64
0.17
1563.61
0.13
688.81
0.06
830.94
0.21
1102.46
0.11
1433.66
0.77
1586.26
0.16
738.82
0.25
1005.72
0.19
1114.49
0.37
1440.07
0.41
7724)7
0.15
1Q22J2
0.20
1154.22
0.08
1496.38
027
Mass Scwdrum
50
tiUZL
50.00 04)9
51.00 0.06
61.05 0.05
62.05 04)8
63.05 00)5
73.05 04)5
74.05 0.16
100
150 200
inte Ratio
250
300
350
400
IDfiE fibUD.
75.05 0.30
864)0 0.05
9Z2D 0.06
93.00 0.18
944)0 04)5
884)0 0X6
994K) 0.09
110.05 0.15
1114)5 0.11
1234)5 0.05
149.00 04)6
1504)0 0.30
1514)0 0.22
1854)0 04)5
"ft
1864)0 0.84
1874)0 0.12
1884)0 0.27
219.95 0.05
2564)5 1.00
2574)5 0.13
257J5 0.99
450
500
m abuiL
258.95 0.12
259.95 0.31
-------
IUPAC Congener No. 33
2' 3.4-TRICHLOROBIPHENYL
CAS No. 38444-86-9
a
a
Matrtx-lsolated Infrared Spectrum
l l l l | l l T» | t I I I |
i i I i i i i n i i i i I i i i
4000
| I I 1 1 j 1 I I I { "I
3000 2500 2000
Wavenumber, cnvl
1500
fiflM
sm-1
676.74
0.11
824.76
0.18
108049
0.14
146143
1.00
680.15
0.10
689.70
0.08
1136.40
046
1489.09
0.05
715.48
0.17
1027.40
0.10
124448
0.05
149548
0.05
73543
0.06
103545
041
137840
041
1S5046
0.05
758.45
052
104140
0.22
1440.47
0.12
157440
0.05
SStl BBS
Spectrum
50
m atom.
50.10 0.10
51.10 0.08
61.05 046
62.05 0.09
63.05 0.05
73.05 0.05
74.05 0.18
100
150 200
nVzRatb
250
300
350
400
450
500
atxrn
75.05
6540
66.10
67.10
92.10
93.10
94.00
042
0.05
0.06
0.04
0.07
0.20
0.06
"ft a*""
97.00
98.00
99.00
11045
111.05
12345
12845
0.05
0.09
0.10
0.16
0.12
045
044
ntt afrun
149.10 0.06
150.10 0.30
151.10 0.23
185.10 0.05
186.10 041
187.10 0.12
188.10 0.26
m SbUTL
220.05 0.05
25645 1.00
25745 0.13
258.05 0.93
259.05 0.12
260.05 041
-------
CI
v Matrtx-tsofated Infrared Spectrum
o
o
3500
1500
3000
2S00
2000
4000
Wavanumber, em-1
em-1
cm-1
em-1
em-1
em-1
687X4
0.16
860X7
0X6
1099X8
0X6
1389.05
0X5
1485X8
0X4
701.40
0X2
866.72
0.10
1124.74
0.17
1398.13
0.10
1562X9
1.00
757.44
1.00
883X2
0.06
1252X3
0.13
1411.04
0X9
1576.77
0.46
809X2
0X6
1045X4
0X0
1269.16
0.05
1429X3
0.42
1590X3
0.68
628.17
0X4
1089X4
0X0
1297.15
0.08
1442X0
0.13
MassSpectrum
50
abun
50.00 0.11
51X0 0.08
61X5 0X5
62.05 0X9
63.05 0X6
73.05 0X6
100
150 200
mfe Ratio
250
300
350
400
450
500
{nit atom
74X5 0.18
J75X5 0.32
86X0 0.06
92.10 0.07
93X0 0.18
94X0 0.05
JD& abun.
96.00
99.00
110X5
111X5
123.05
149.00
0.10
0.11
0.15
0.11
0.05
0.06
mtt (tun.
150X0 0.30
151X0 0.22
186.00 0.79
187.00 0.11
188X0 0.26
256.05 1.00
fibv"
257.05 0.13
257X5 0X7
258X5 0.12
259X5 0X0
-------
I I I I I I I I II I I I I I I I I
IUPAC Congener No. 35
3,3 \4-TRICHLOROBIPHENYL
CAS No. 37680-69-6
Matrix-Isolated Infrared Spectrum
1 I > I j
f'l i i i i I i i i i I 'i r
3000 2500 2000
Wavenumber, cm-1
4000
l l | I l
3500
1500
1000
em-1
abs
em-1
afc
em-1
68051
0.05
824.75
0.14
1052.43
0.12
1372.77 0.20
1563.12
0.10
695.04
0.12
851.75
0.25
1083.83
0.11
146542 1.00
1577.76
0.12
737.19
0.42
879.42
0.12
1103.00
0.17
1490.85 0.08
1593.29
022
786.45
0.32
1033.02
0.26
1138.42
0.31
1553.57 028
MassSpectniw
50
100
150 200
mft Ratio
250
300
350
400
450
500
afaun
50.00 0.11
51.10 0.08
61.05 0.05
62.05 0.08
63.05 0.05
73.05 0.06
74.05 0.18
754)5 0.32
86.00 0.05
92.10 0.07
6340 0-19
9440 0.06
m abu"
98.00 0.08
99X0 0.09
110.05 0.15
11145 0.12
149.00 0-06
150-00 027
mz asml
151.10 0.21
186.10 0.72
187.10 0.11
188.00 0.24
256.05 1.00
25745 0.13
am.
258.05 0-97
259.05 0.12
260.05 0.31
-------
JUPAC Congener No. 36
W^lWCHIXmOBIPHENYL
CAS No. 38444-87-0
Matrfa-fsoteted Infrared Spectrum
a CI
a
IS
• i i i
j i i i i I i i i
i | i I i k | i I
3000 2500
Wavenumber, cm-1
cm-1
8b5
cm-1
S&3
em-1
flfof?
cm-1
68323
0.16
859.96
0.34
1104.06
027
1418.65
0.09
695.84
0.06
873.46
04)5
1128-39
021
1430.46
0.35
712.10
0.42
106950
020
1383.96
025
1442.70
0.09
78621
0.49
1063.77
0.13
139620
0.07
1480.43
0.07
807.72
0.60
1094.32
04)5
1401.89
0.06
1485.83
0.10
1561.37 1.00
^ .
Mass spectrum
50
nVit tfwn
50.10 0.10
51.10 0.06
6146 0.05
62.05 0.08
63.05 0.05
73.05 04)5
100
150 200
mfcRalio
250
300
350
400
450
500
abun
744)5 0.17
754)5 0.32
864)0 0.05
92.10 0.07
93.10 0.18
94.00 04)5
mtz mm.
96.00 0.08
994)0 0.06
110.05 0.15
111-05 0.11
149.10 0.05
150.10 029
mft abun
afaun
151.10
165.10
186.10
187.10
188.10
2204)5
0.21
0.04
0.75
0.10
0-23
0.04
256.05
257.05
258.05
259.05
260.05
1.00
0.13
0.92
0.12
0.29
-------
IUPAC Congener No. 37
3,4,4 '-TRICHLOROBIPHENYL
CAS No. 38444-90-5
Matrix-Isolated Infrared Spectrum
I I i I | l I lr l 1
i i i i i I i i i i I i i i i H 1 ' 1 ' I i i '
jj
4000
i i rn| i i i i j i i i i {
3000 2500 2000
Wavenumber, cm-1
1000
au a
65851 0.06
67739 0.15
721.13 0.07
72533 0.11
81522 0.53
«"-1 abs
828.71 0.17
839.61 0.09
887.91 0.05
101520 034
1033.41 021
104031
109732
112832
114331
115131
0.17
0.64
0.13
0.12
0.06
Ih1
1376.48 023
1465JM 1.00
1480.76 020
150136 0.12
1557.16 0.06
flUblajIS
1592.11 0.12
MassSpectrum
50
nrt _flhun.
50.00 0.10
51.10 0.07
81.05 034
62.05 0.08
63.05 0.05
73.05 0.05
74.05 0.16
100
150 200
ntt Ratio
ma Bbuo.
7535 029
86.10 0.05
9220 0.06
9330 0.17
94.00 0.05
9830 0.07
9930 0.08
250
mfz abun
11035 0.13
11135
12835
12935
149.10
150.10
151.10
300
350
400
oft abuo.
0.10
0.05
0.05
0.05
024
0.19
185.10
186.10
187.10
188.10
22035
25635
25735
0.04
0.67
0.10
021
0.04
1.00
0.13
450
500
nvz shun
258.05' 0.94
259.05 0.12
260.05 0.31
-------
IUPAC Congener No. 38
4 A C.TPinJt ApAPIUUL'MVT
A IWwliA^XVWgljllCJ^ Xi#
CAS No. 53555-66-1
Matrtx-tsotgted Infrared Spectrum
i *
11)1
1 I 1 | 1 1
i i I i i
1 1 | I
i i i
1"
1
§'
s-
2-
2-
.1, 1
ill
I;
1 1 | 1
1 1 J 1
1
4000
3500
3000
2500
2000
1500
Wav«number, cm-1
em-1
Stff
em-1
abi
S
651 £8
0.05
761.34 0.65
116427
027
1377.60
0.47
665.73
0.07
813.50 027
120221
0.12
139924
0.05
678.94
0.06
875.49 0.17
125522
04)7
1434.67
14)0
6&33
026
103822 04)7
128726
0.07
150122
04)8
SStl ate
1546.02 0.76
158934 028
t .
50
100
ISO 200
mtt Ratio
250
300
350
400
450
500
tntt abun
39.10 0.07
60.10
51.10
61.05
62.05
63.05
74.05
0.11
0.14
0.05
0.08
0-07
0.16
mn abun.
75.05 024
7525 0.07
86.00 04)6
9220 0.06
93.10 021
944)0 0-07
87.00 04)6
"ft afa""
96.00 0.11
99.00 04)7
1104)5 0.17
11145 0.12
149.10 04)6
150.10 0.30
151.10 022
afaun
185.10 0.05
186.10 0.81
187.10 0.11
188.10 025
2204)5 0.08
2564)5 14)0
2574)5 0.13
raft afaon
258.05 0.95
259.05 0.12
260.05 0.30
-------
RJPAC Congener No. 39
3,4'3-TRICHLOROBIPHENYL
CAS No. 38444*88-1
Matrix-Isolated Infrared SDectrum
I 1 J 1 | I l lri | i
0-O-
CI
CI
I » I I I I I I I I I
*2
M
I 1 I I | I I t I'j 1 ] 1 i | 1 1 1 1 {
4000 3500 3000 2500 2000
Wavenumber, cm-1
i i i l i i i i
44
¦jl
* 4 1 I
1500
1000
fi&l fibs.
686.34 0.09
604.49 0.90
817.02 0.21
827.85 0.73
s&J ate
861.16 0.17
101624 0.36
106121 021
109626 1.00
tttl abs.
1124.54 0.13
128421 0.17
138529 0.41
1432.74 0.71
mti abs.
144624 0.06
149827 029
155923 0.94
1579.90 0.54
cm-1 abs
1590.67 0.58
1600.56 027
50
50.00 0.10
51.00 0.07
61.05 0-05
62-05 0.08
6325 0.05
73.05 0.05
74.05 0.17
100
150 200
mft Ratio
mfc atssL
7525 021
8520 0.04
86.00 0.05
87.00 0.04
92.10 027
8320 0.17
94.00 025
250
WtZ Sfaffi.
9820 026
99.00 0.09
11025 0.15
111.05 0.11
149.00 026
15020 028
15120 021
300
350
400
450
500
fnfi _abm.
185.00 0.04
18620 0.71
18720 0.10
18820 023
21925 0.05
256.05 1.00
25725 0.13
25725 023
25825 0.12
25925 020
-------
IUPAC Congener No. 40
2£\33*-TETRAOiLOROBIPHENYL
CASNa 38444-95-8
CI CI a CI
Matrix-Isolated Infrared Spectrum
I I I l | I l ll | l i l l | l l l l j l l I I | jl 1 I I { I l l
5 .
?!
XL
J
I i 1 I | I I I 1 | i I
4000 3500
I I | I I I I | I I
3000 2500 2000
Wavenumber, em-1
I | l 1 I I | I
1500
1000
CfH-i
em-1
em-1
em-1
67335
050
10174)7
04)5
118739
024
144139
1.00
722.65
0.75
1041.48
030
1196.75
0.12
1565.67
024
75034
030
105236
030
1202.77
0.13
1569.69
026
782.64
039
1069.48
038
120839
0.11
158137
025
792.50
038
1136.17
0.15
1407.15
032
159530
0.15
8464)1
020
115633
0.48
142025
034
1690.34
0.05
1869.47 0.05
1934.69 0.06
Mass Spectrum
50
mft abun
50.10 0.09
614)5 0.09
62.05 0.08
73.05 0.10
74.05 027
75.05 0.23
85.00 0.08
100
150 200
mfc Ratio
250
300
350
400
92.10 0.24
93.00 0.08
98.00 0.15
99.00 0.13
109.05 0.12
110.05 058
11135 023
">* rtxin
123.05 0.10
1274)5 0.10
12735 0.09
14930 0.13
150.10 058
184.10 0.16
18530 0.15
m abun.
220.05 1.00
2214)5 0.13
2224)5 0.63
22335 0.10
2554)5 0.51
256.05 0.08
2574)5 050
450
500
id£e BbUZL
259.05
290.00
292.00
293.00
294.00
0.15
0.58
0.75
0.09
0.35
-------
IUPAC Congener No. 41
2^'3,4-TETRACHLOROBIPHENYL
CAS No. 52663-59-9
a a
Matrix-Isolated infrared Soectwm
1 ) I l ( i l II | » < I I { i l I I | I l l I [II I 1 I |
N
4000
T I I I j i t I I J
3500
| I I
3000 2500
Wavenumber.cm-1
cm-1 abs
cm-1 abs
fflhl
662.46 0X6
756X8 0X1
1030X2
0.09
113129
0.06
1444.11
1.00
716X9 0.14
782.77 0X0
1039.76
022
1177X8
0X7
1484X2
0X5
732.44 0.11
820.67 023
1078X5
0.12
1365X9
0X3
158229
0X8
737X9 0.13
841X0 0X1
1104.47
0.08
1436X2
0.46
Mass Spectrum
I i J.|J i, I A .*! ¦ ¦ A. , ¦ U
50
*****
50.10 0.10
61.05 0.09
73.05 0.10
74.05 022
75.05 022
92.10 020
98.00 0.14
100
150 200
nVz Ratio
8bun
99.00
109.05
110-05
111X5
127.05
128.05
149.10
0.11
0.11
0.39
024
0.10
0.10
0.14
250
300
350
400
JjES^ELNMMMMMMNjBfiSjyOL.
150.10 0.36
184.10 0.17
185.10 0.15
220.05 1X0
221.05 0.14
222.05 0X5
224X5 0.10
255X5
257X5
259.05
290X0
291X0
292X0
293X0
0.40
0.38
0.12
0.73
0.10
0X5
0.12
450
500
atz atom
294.00 0.47
296.00 0.10
-------
IUPAC Congener No. 42
2^*3,4'-TETRACHLOROBIPHENYL
CAS No. 36559-22-5
ct CI a
Matrtc-lsolated Infrared Soectrum
i i i i II i n—
1 1 1 4 1 i
I I • i | I r
1 « | I I I I | I II I
M
4000
i i | i i I I | r
3000 2500
Wavonumber, cm-1
I * * » 1 I
2000 1500
1000
em-1
cm-1
ate
em-1
flhS
em-1
Atffi
em-1
66947
0.10
82244
0.40
110845
0.45
138241
0.10
1566.41
0.13
71955
0.07
83743
140
1125.57
0.08
141746
0.49
1585.13
0.12
72741
046
870.40
0.18
1143.17
0.12
1444.49
040
1597.75
0.42
735.40
044
1028.11
0.10
1158.71
0.10
145147
042
765.04
0.09
1055.08
0.19
1196.93
0.17
148740
043
78649
043
1079.17
0.14
137240
0.18
1557.70
0.10
MassSpectrum
50
£~& atom.
50.10 0-08
8145 0X8
73.05 0.10
74.05 045
75.05 0.20
92.10 042
98.00 0.14
100
150 200
mfeRatb
250
300
350
400
99.00 0.13
109.05 0.11
110.05 0.37
111.05 044
123.05 0.09
127.05 0.09
128.05 0.09
Mbtin
149.10
150.10
184.10
185.10
22045
22145
22205
0.12
044
0.16
0.14
140
0.14
0.62
224.05 0.09
25545 045
25745 042
25945 0.10
290.00 0.75
29140 0.09
292.00 046
450
500
afaun
29340 0.12
29440 0.45
29640 049
-------
IUPAC Congener No. 43
2^'33-TETRACHLCHlOBIPHENYL
CAS No. 70362-46-8
Matrix-Isolated Infrared SDectrum
1 I I < I | 1 i T I t < I I 1 ) 1 I I
« CI CI
a
T~t
i n»
TTT
i i
i r
M
4000
1 \ I I t I | 1 1 I I |
3000 2500 2000
Wavenumber, cm-1
ETTV1
afas
cm-1
ate
cm-1 .
cm-1
rts
cm-1
662.68
0.05
821.48
025
1074.76
0.06
1388.11
0.70
1590.66
0.11
668.72
0.05
840.47
023
110524
0.15
1412.71
025
1600.71
0.08
681 £2
0.06
866.72
022
111524
0.05
1425.55
0.17
3069.08
0.05
703.10
0.14
10324)6
023
1123.47
0.63
144320
028
722.04
0.13
1037.77
027
1191.94
0.11
148428
028
734.95
028
104724
04)8
1248.05
0.11
1557.63
0.46
75853
1.00
1064£5
026
129424
0.10
157925
026
Mass Spectrum
50
100
150 200
mfc Ratio
250
300
350
400
450
500
61.05 0.07
73.05 0.08
74.05 0.20
75.05 021
92.10 020
98.00 0.15
99.00 0.11
109.05 0.10
110.05 0.38
111.05 024
123.05 0.08
127.05 0.10
127.95 0.10
149.00 0.14
150.10 026
184.00 0.16
185.10 0.13
2204)5 1.00
2214)5 0.13
222.05 0.63
223.05 04)7
SBH Bfeffl.
223.95 0.08
255.05 0.40
257.05 0.40
2594)5 0.11
2904)0 0.67
2914)0 0.07
2924)0 0.83
iiift abun
293.00 0.10
294.00 0.40
-------
IUPAC Congener Na 44
2^*3^*-TETRAQHLOROBIPHENYL
CAS No. 41464-39-5
ci ci a
Matrix-Isolated Infrared Soec&um
1 I I I | 1 1 Fl | l I I I |
Ci
I | I I I
» i i r
I 1 1 « • I
i I
4000
I l | I i 1 1 | 1 I 1 i
3000 2500 2000
Wavenumber, cm-1
1500
1000
cm-1
ato
cm-1
abff
cm-1
em-1
sbs
717.18
0.08
856.29
0.11
1139.58
0.18
142027
029
15974)5
0.09
723-98
029
885.64
0.10
1158.90
0.16
1450.19
1.00
16334)5
04)5
729-41
0.17
103350
0.77
119523
0.10
147729
0.19
3719.48
0.06
755.27
0.41
105451
0.25
124951
0.05
1486.76
0.10
788.49
0.50
11024)1
050
1381.47
025
156050
0.15
817.46
0.41
112423
0.05
141353
026
158424
0.15
Mass Spectrum
50
100
150 200
mfz Ratio
250
300
350
400
450
500
wife abun
50.00 0.10
61.05
7345
74.05
75.05
85.00
86.00
mil atom.
0.11
0.13
031
0.24
0.09
0.09
92.10
98.00
994)0
109.05
110.05
111.05
123.05
0-27
0.17
0.15
0.12
0.41
027
0.11
1274)5
1284)5
149.10
150.10
164.10
185.10
2204)5
0.11
0.10
0.14
0.40
0.16
0.15
14X3
221.05
2224)5
2244)5
255.05
257.05
259.05
2904)0
0.14
0.66
0.10
0.41
0.38
0.12
0.67
fl&UQ.
292.00 0.85
293.00 0.11
294.00 0.41
-------
IUPAC Congener No. 45
W^^-tetracejlorobiphenyl
CAS No. 70362-45-7
15
CM
4000
Matrix-Isolated Infrared Spectrum
¦pYT,HrT^aira,rT"TM]*T
3000 2500 2000
Wavenumber, cm-1
1500
1000
cm-1
ats
cm-1
flbs
cm-1
702.83
0.2t
812.19 0.43
1123.00
0.16
1434.72
1.00
15574)6
04)7
733.11
0.16
837.11 028
1139.99
0.08
1440.48
057
157455
0.05
743.66
022
10274)6 0.17
1177.64
058
144955
0.13
756.99
0.73
103956 034
118725
0.12
1456.94
0.06
795.03
023
106039 035
1386.64
0.64
1486.45
0.13
Mass Spectrum
H
50
»nte abun
50.00 0.11
614)5 0.10
73.05 0.11
74.05 024
754)5 023
92.10 022
100
150 200
mfeRalJo
wift abun
884)0 0.17
99.00 0.13
1094)5 0.12
110.05 0.41
1114)5 0.26
127.05 0.10
250
abun
127.95 0.10
1494)0 0.15
1504)0 0.39
1844)0 0.16
1854)0 0.15
2204)5 14)0
300
350
400
Mft ahu"
2214)5 0.14
221J95 0.64
22335 0.10
2554)5 0.45
2574)5 0.43
2584)5 0.14
450
500
290.00 0.72
292.00 0£4
293.00 0.12
293.90 0.44
-------
8iSlJ!a828&
o o o o o o o
o « ro * -4 w o
fefe883<$£
©oPPPpp
•* •• o oo bb
ooSKoiuitR
o o o o o o o
ikUbUUUb
0«l(00-*NW
HRSBM
opee^eo
in ;i 5> -r4 <2 ^
•* O Q> J* O 0» O
BIBIH
888888
0 O O O O O
1 i 8 5 « fe
£8381
U bi U b
:»
lllie
Boo«*
i&iife
8838
oooof
• • • • I
•A Q «t ¦**"
N«U»>
oooo
Ret/AbMibanM
0.4 0.8 0.0
o o
u b$
« u ^
? O
m
S
-------
TUPAC Congener No. 47
2^\4,4^TETRACHLOROBIPHENYL
CASNa 2437-79-8
CI a
> i 1 I 1 1 i j 1 1 J i I I 1 l
Matrix-isolated Infrared Soeetnim
I 1 1 I I
©i
X
i i I I | I 1 I I | I I l 1 { I I
4000 3500 3000 2500
Wavenumber, cm-1
I l| I I
2000
i
1*1 "'rj rv r
1000
em-1 abs
cm-1
9&S
79152 0.76
870.82
0.21
1107JS7
0.61
144550
0.28
156145 0.05
817.79 0.26
1006.17
0.23
114150
0.12
1465.72
1.00
829.18 0.14
1061.41
0.15
1369.70
0.13
1495.76
0.06
834^7 0.08
1087.47
022
138554
0.09
155256
0.08
Mass Spectrum
150 200
mft RaUo
abun
50.10 0.09
61.05 0.09
73.05 0.11
74.05 024
75-05 0.18
92.10 022
98.00 0.14
m& BbUD.
994)0
109.05
110.05
111.05
123.05
127.05
128.05
0.13
0.10
0.35
0.23
0.08
0.08
0.08
OH 8&UZL
149.10
150.10
184.10
185.10
220.05
221.05
77? 1)5
0.12
0.31
0.15
0.14
0.91
0.13
059
id& aba.
224.05
255.05
257:05
290.00
291.00
292.00
293.00
0.09
0.18
0.17
0.77
0.10
1.00
0.13
500
Oft BbUQ.
294.00
296.00
0.49
0.10
-------
saaapsgE
8888888
o o o o o o p
Rel. Abundance
0.4 0.8
i i f t
| 8 -
Ssssssis^
fefefe88feo
O O O V j-
&&;£ *>£«£»
o o o o
S86£!l!38
o o o o o o o
sppss
fe SI
b io
W N|
o -*
s§
RH. Abewbanea
0.2 0.4 0.8 OJ
-------
IUPAC Congener No. 49
W^.S'-TETRACHLOROBIPHENYL
CAS No. 41464-40-8
Matrix-isolated Infrared Spectrum
I I 1 I i I I YI j 1 I 1 I | 1 1 1 I |
a CI
M
II I Mil J I J ' II
4000
T | I I I I | i I J I ] I I I I | l l( I J II
3500 3000 2500 2000 1500
Wavenumber, cm-1
JL
i | • i •
1000
sm-1
afcs
em-1
ate
cm-1
ate
sm-1
658X3
0.06
1018X7
0X3
1138.00
0.18
1424X6
0.05
1596X7
0X0
775.14
0.16
1059.49
0X0
1248.18
0X5
1459X7
1.00
1602X0
0.13
0X8
1075X5
0.06
1369.68
0.10
1486X5
0X6
3720X5
0.06
843.74
0.48
1092.18
0.12
1373.30
0.10
1555.65
0.05
870.67
0.15
1100.10
0X8
1386X5
0X1
1565X5
0.10
887X9
0.08
1106X8
051
1398.44
0X5
1587X8
0.11
Mass Spectrum
50
in/it
50.00 0.10
61.05 0.09
73.05 0.11
74.05 0-26
75.05 0.20
92.10 022
100
150 200
m/1 Ratio
250
300
350
400
450
500
98X0 0.14
99.00 0.13
109.05 0.11
110.05 0.35
111X5 0X2
149.00 0.13
Kite i iJftlD.
150.10 0.33
184.00 0.16
185.10 0.14
220X5 053
221.05 0.13
222X5 0.59
an aba.
224X5 0.10
255X5 0.27
257X5 026
290X0 0X0
291.00 0.10
292X0 1.00
293.00 0.13
294.00 0.49
296.00 0.10
-------
IUPAC Congener No. 50
W.4.6-1ETRACHLOROBIPHENYL
CAS No. 62796-65-8
Matrfr-teotated infrared Spectrum
ci a
a
*3-
4
| i i i i |
3000 2500
Wawnumber. cm-1
I | I I 1 l |
2000 1500
i I T I I
1000
em-1
abs
em-1
aba
em-1
em-1
65237
0.07
835.44
038
1149.61
0.09
144930
0.42
306834
0.05
664.44
0.07
85930
036
118637
0.18
149231
0.08
3078.70
0.05
73238
0.40
1004.69
0.18
124935
0.06
154635
0.98
3086.07
0.06
739.17
0.36
1036.73
030
1373.66
0.77
156534
0.06
757JB1
130
107036
035
1389.49
031
1582.48
039
803.68
0.27
1101.08
0.49
142935
031
159737
0.11
81826
0.42 -
113433
035
144431
0.49
1602.71
0.11
Mass Spectrum
• ¦ i •
m
... > i ,.uU.. ,i,.
J—
m
i
so
50.00 0.09
61.15 0.09
62.05 0.08
73.05 0.09
74.05 032
7535 Oil
92.10 0.19
100
150 200
m/z Ratio
250
300
350
400
450
500
98.00 0.15
99.00 0.12
109.05 0.11
110.05 046
111.05 033
123.05 ©39
127.05 0.10
abort
128.05 0.10
146.00 039
149.10 0.13
150.10 036
184.10 0.16
185.10 0.15
220.05 0.99
mfr abun
0.14
0.64
0.10
0.39
0.38
0.12
0.79
221.05
22235
224.05
255.05
257JOS
259.05
290.00
fnte abun
291.00 0.10
292.00 1.00
293.00 0.13
294.00 0.48
296.00 0.10
-------
IUPAC Congener No. 51
2a\4,6'-TETRACHU>ROBIFHENYL
CAS No. 65194-04-7
Matrlx-tsolated Infrared Spectrum
< • • < I • i li | i
a a
i • • • • i
i
N
I I I I | I
4000 3500
J
3000 2500 2000 1500
Wgvsnumber, cm-1
1000
723.77 0.07
739.63 0.14
780.26 0.39
79038 0.67
820.20 0JSS
868.87 0.13
1004.49 0.05
1065.49 0.10
1107.24 0.41
1116.70 0.07
ml ate
1143.34 0.10
1154.68 0.05
1197.01 0.12
1370.50 0.06
1380.15 0.08
ma ats.
1387.87 04)5
1435.48 1.00
1489.99 0.19
1565.18 0.24
158&29 Qg?
VWVW
ml ate
Mass Spectrum
50.00
61 .t»
62.05
73.05
74.05
75.05
92.10
50
abun
0.10
0.11
0.10
0.13
0.31
023
025
100
150 200
mte Ratio
250
300
350
400
450
500
abun
98.00 0.17
99.00 0.15
109.05 0.12
110.05 0.40
111.05 0.25
123.05 0.11
149.10 0.14
lift abun
150.10
184.10
185.10
220.05
221.05
222.05
224.05
037
0.16
0.16
1.00
0.14
0.65
0.11
m fifaffl-
255.05
257X35
259.05
290.00
2914)0
292.00
293.00
0.37
0.36
0.11
0.80
0.11
1.00
0.13
Ml 8&U0.
294.00
296.00
0.49
0.10
-------
ut
ife:
o o o o o o o
:ililllp
o o o o o P P
S s fc? 5s o M *•
8388186
&feSS§S8
o e o o o e o
8S8B!5!liS$
Sfe8iSSSfefe
foppeep
8U «j«t b b U
odoRQo
8
8
8
8
Mtf
s§s
ope
U k
o S U
|ti§58s|
feie Ss is fc fel
oPPPPP
j3S3>8::g(
*A aa» «* «¦» <¦» «A M
iiiiil"
o o o o o o
-slac5 2|
o o o o o o»
iiki5&S!8f
•* ^ -* -a «4 «*|n
wii!
oee«>oe t
ssstsSfefc
§
3
O
8
I
-------
IUPAC Congener No. S3
2^'^,6*-TFniACHLOROBIPHENYL
CAS No. 41464-41-9
CI a
Matrix-Isolated Infrared Spectrum
i i i i j it r i | i i i
a a
I i i i i j ii i i i I i
^TTT"^prTTT^
3000 2500 2000
Wsvtnumber, em-1
em-1
Btffi
em-1 abs
em-1
ffa?
em-1
739X8
020
883.81
0.06
1099.43
0.68
1250.44
0.07
780.47
0.66
1018.03
051
1116.09
0.12
1280.42
0.06
793.67
0X0
1064.45
0.11
1139.41
0.18
1380.13
0.11
81655
051
1082X1
0.15
1155.69
0.05
1385.45
0.19
826X0
0.14
1091.01
0.15
1196.19
0X1
1434.44
1X0
cnv-1 ifa
1444.15 055
1477X1 0.17
1486.43 0.17
1565X1 0X6
MassSpectrum
50
ptfz abun
61.05 0.10
62.05 0.09
73.05 0.12
74.05 0.27
75.05 0.21
92.10 023
98.00 0.16
100
150 200
mft Ratio
250
300
350
400
nvt tiwn
994)0
109.05
110.05
111.05
123.05
146.00
149.00
0.13
0.11
0.36
022
0.10
0.09
0.13
nift jifaio.
150X0 0.34
184.00 0.14
185X0 0.15
21995 0X4
221X5 0.13
221X5 0.60
223X5 0.10
ntt abuo.
254X5 >0.39
256X5 0.39
258X5 0.13
290.00 0X0
291X0 0.10
291X0 1.00
293X0 0.13
450
500
oft Bfaun.
293X0 0.48
295X0 0.10
-------
IUPAC Congener No. 54
l^'Afi'-TETRACHLOROBIPHENYL
CAS No. 15968-05-5
Matrix-isolated Infrared Soectrum
l I l I | l I VI ( l i l l { i
ct a
a a
i i i | i i i i { i * i i | i
i
N
O
l i i i in { i » i i i i i i i i ^ t r 1 fl
4000
3500
3000 2500
VvlVOIUIIuOit Cffrl
2000
ATM B&S
72627 0^1
737.05 026
77759 0.61
79852 1.00
1084.16 029
1124.49 021
snti ate.
1154.65 0.08
120059 023
141453 025
1500
ati ate
1434.15 0.95
1564.34 0.39
1580.72 020
SUtl Bbi
159323 0.07
1598.65 0.06
Mass Spectrum
50
pitt abun
61.15 0.10
73.05 0.13
74.05 027
75.05 020
86.10 0.09
92.10 023
100
150 200
mfc Ratio
250
300
350
400
450
500
98 £0 0.16
99.00 0.12
109.05 0.11
110.05 0.35
111.05 023
123.05 0.11
abun
146.00
149.10
150.10
184.10
185.10
220.05
0.10
0.13
034
0.13
0.13
0.86
m abuiL
221.05 0.12
77? 05 054
255.05 0.10
2574)5 0.09
290.00 0.79
291 AO 0.10
mn stem.
292.00 1.00
293.00 0.13
294.00 0.48
296.00 0.10
-------
IUPAC Gongenw Na 55
233',4-TETRACHLOROBIPHENYL
CAS No. 74338-24-2
a a
Matrix-lselated Infrared Spectrum
M
I I | I I * I" | I I I I | 1 I
3500 3000 2500
Wavenumber, cm-1
em-1
BbS
sm-1
xto
cm-1
ate
cm-1
&S
cm-1 abs
662X9
0.06
782X8
0.17
1055X5
0.09
1178X9
0X2
1574X5 0X7
666X0
0.10
789X2
041
1084.07
0.10
1359X5
0.49
1591.46 0.09
696.21
0X9
822X2
0.23
1099.16
0.06
1418.15
0.09
728X0
0.18
862X7
029
1108X9
0X2
1446.45
1.00
743.04
0.40
887.17
0.05
1160.68
0.06
1484.69
0.05
* • • • i * * • *
m
I
- - . - 1 * - - -
m
50
iiifr B&un
100
150 200
mfz Ratio
250
300
350
400
450
500
50.10
51.10
61.15
62.05
73.05
74.05
75.05
0.10
0.07
0.07
0.07
0.08
0.19
0-20
Mz abuiL
86.00 oxe
92.10 0.18
97X0 0-06
96.00 0.12
99X0 0X9
109.05 0X9
110.05 0.30
111X5 0.19
123X5 0.06
127X5 0.08
128X5 0.08
146.00 0.07
149.10 0.10
150.10 0.27
Ml abu"
0.14
0.11
0.67
0.10
0.44
0.07
0.79
ata.
184.10
185.10
220.05
221X5
222X5
224.05
290.00
291.00
292.00
293.00
294.00
295.00
296.00
0.10
1.00
0.13
0.49
0.06
0.10
-------
IUPAC Congener No. 56
2^\4'-TETRACHLOROBIPHENYL
CAS No. 41464-43-1
lo
4000 3500 3000 2500 2000 1500 1000
Wavervmber, em-1
em-1
•to
em-1
flbs
em-1
em-1 i
BfaS
657.53
0.09
787.16
0.42
1064.56
0.18
1373.46
058
371951 0.10
66652
0.05
825.29
0.16
112156
0.11
1418.49
058
375357 0.12
674.47
0.09
856.10
0.16
113653
055
144951
1.00
71450
0.12
887^4
0.12
1150.16
0.11
1480.48
057
72558
0.11
907.65
0.06
1160.03
0.13
155252
0.19
730.13
0.10
103624
0.43
117655
0.05
156359
0.06
752.19
0.28
1045.13
053
119558
0.16
1590.65
057
Matrix-isolated infrared Spectrum
Mass spectrum
50
infc abun
50.00 0.08
61.05 0.07
62.05 0.06
734)5 0.08
744)5 0.21
754)5 0.16
85.00 04)7
100
150 200
lift Ratio
250
300
350
400
abun
864)0 0.06
824)0 0.17
82.70 0.06
884X) 0.11
89.00 0.11
109.05 0.09
110.05 0.25
infi; atom
1114)5 0.17
1234)5 0.06
1274)5 04)7
127.95 0.07
146.00 0.06
1494)0 0.09
150.00 054
«bun
164.00
165.00
2204)5
221.05
221.95
22355
290.00
0.13
0.10
0.61
0.09
0.40
0.06
0.76
450
500
mtz abuo.
291.00
292.00
293.00
294.00
296.00
0.10
1.00
0.13
0.48
0.10
-------
IUPAC Congener No. 57
233^-TETRACHLOROBIPHENYL
CAS No. 70424-67-8
Matrix-tsotaied Infrared Spectrum
i i i i | i < | | j | | | | j l I i I |
a ci ct
a
I J I ] J I I I J | J I 'T
4000
I I | I I I
3500
• | »i i t j « i I i | i r
3000 2500 2000
Wavenumber, cm-1
jilll, I
i i i I I I
I
1500
cm-1
cm-1 gfas
em-1
em-1
0.70
880.88
0.13
112545
0.77
140143
0.44
707.37
0.58
1042.11
0.72
119223
0.13
141446
046
728.75
045
1083.77
0.20
1263.07
0.06
1436.10
049
78926
0.77
109247
045
129142
0.05
148247
0.44
829.60
042
110446
0.41
130443
0.05
155540
140
865.64
0.64
1115.10
048
138543
0.72
157641
0.79
I
1000
e™-1
1590.12 0.16
1597.32 0.18
160241 0.25
Mass Spectrum
•
i
>
i
>
i
»
•
'
*
«
•
¦
1
«
i
50
]D£LiJli2U!L
5040 0-07
73.05 047
7445 0.17
75-05 0.17
86.00 046
92.10 0.15
100
150 200
nVz Ratio
250
300
350
400
450
500
nifz ahum
98 DO 0.11
9940 0.08
109.05 0.08
110.05 0.25
111.05 0.16
127.05 0.08
flbun
12755 0.0B
149.10 0.09
150.10 0.26
184.00 0.13
185.10 0.10
22045 0.64
inft Bfrvn
22145 0.09
22245 0.41
22445 0.06
29040 0.77
29140 0.10
29240 1.00
mte abun
293.00 0.12
294.00 0.46
296.00 0.10
-------
IUPAC Congener No. 58
23^\5'-TETRACHLOROBIPHENYL
CAS No. 41464-49-7
ci a a
a
Matrix-Isolated Infrared Spectrum
till | I I
2 •
| l 1 I l } l l l > | I l I II | I l t » | I lj '
Hi
j i i i i | i r
3000 2500
Wavenumber, ern-1
em-1
em-1
CITVl
abs
cm-1
655.65
0.06
81026
0J3
111855
0.14
138726
021
67025
029
0.06
113224
022
140227
0.47
69233
0.48
862X7
0.48
115920
0.17
1426.76
0J6
722.63
0.15
1050.73
0.45
119720
0.10
146428
0.14
74723
027
107722
024
129027
0X6
1560.09
0.99
78522
1X0
109954
024
1295.73
0.06
1570.43
0.73
1 I * *
1000
158527 0.63
159028 0.41
»
*
,
» * ¦ ' T
* ' ' * I '
50
50.00 0X9
81X5 0.07
62.05 0.07
73.05 0.09
74.05 022
75.05 0.17
85.00 0.07
100
150 200
m/z Ratio
250
300
350
400
86.00
92.10
98X0
99.00
109.05
110.05
111.05
0.06
0.17
0.11
0.11
0.09
025
0.16
fnft flbun.
123.05 0X7
127X5 047
12735 0.07
149.10 0.10
150.10 024
184.10 0.13
185.10 0.11
wife a**™
220X5 0.66
221.05 0.10
222X5 0.42
224.05 0.07
290X0 0.80
291X0 0.11
292.00 1.00
450
500
mH 8&2Q-
293.00 0.13
294.00 0.49
295.00 0.06
296.00 0.11
-------
IUPAC Congener No. 59
233'^-TETRACHLOROBIPHENYL
CAS No. 74472-33-6
a ci ci
CI
Matrix-Isolated Infrared Soecttum
'lllljll 11 | 1 I I I | I I
i I i i i i I i » i I | I I I
12-
/} i i j i ] i i i
3000 2500
Wavenumber, cm-1
_JL
il
X
ULi
4000
I | I 1 1
3500
} I 1 I
2000
) I I II | 1 1 I
1500
1000
em-1
cm-1
em-1
fifrff
em-1
em-1
flttff
69557
053
857X5
0.12
1098.18
0.41
1412X1
0X6
1575.10
0.49
709S4
0X2
886.07
0X7
1123X5
0.08
1420X7
0X1
1591.48
0X1
745.60
0.13
1048.17
0.73
1174X7
0X1
1434.09
1.00
1603.19
0.45
78659
0.96
1055X9
0X9
1185X5
0.40
1442.71
0.98
807.71
0.46
1064X6
0X5
1300.64
0.05
1484.21
0X7
812.64
0.78
1084X7
0.27
1384X2
0.65
1554X4
0.12
•
l
1
f
41
1
MZ-
50.00
51.10
61.05
62.05
73.05
74.05
75X5
50
abun
0.09
0.06
0X7
0.07
0.09
0.19
0.18
100
150 200
mtz Ratio
250
300
350
400
450
500
85.00 0.06
86.00 0.07
92.10 0.17
98.00 0.12
99.00 0.09
109.05 0.09
110.05 0.24
mft
111.05 0.16
123.05 0.06
127X5 0.08
127X5 0.08
146.00 0.06
149.00 0.10
150.10 0.26
fllll—m-^bUIL
184.00 0.12
185.10 0.10
220X5 0.67
221.05 0.10
222,05 0.44
223X5 0.07
290X0 0.77
"¦» abon
291.00
292.00
293.00
294.00
296.00
0.10
1.00
0.13
0.48
0.10
-------
1UPAC Congener No. GO
23,4.4'-TETRACHLC»OBIPHENYL
CAS No. 33025-41*1
Matrfc-tsofated Infrared Spectrum
-> i * i I i l ll | l I l 1 | I' i ll | l I I 1 j I« i « i | I 1 I
i i i i | r
4000 3500
I i » i i j i i i i |
3000 2500 2000
Wavenumber, cro-1
i i i | I < l I i I I
1500 1000
JfeS.
cm-1
GfTM-.-
ate
662.62
0.05
816.06
025
1099.78
021
149520
0.11
72754
0.09
83621
0.32
1175.73
021
1503.16
0.11
77032
0.14
1016.62
028
136328
020
1591.40
0.10
77920
0.19
1093.11
0.41
144723
14)0
162625
0.05
SBkl ab£
«? .
WtL.
50.10
51.10
61.05
624)5
73.05
74.05
75.05
50
abun
04)9
0.06
0.07
0-07
0-08
0.17
0.17
100
150 200
m/z Ratio
250
300
350
400
450
500
86.10
82.10
98.00
89.00
109.05
110.05
111.05
0.06
0.15
0.11
0.08
04)8
025
0.16
"ft
1274)5 0.07
128.05 04)7
146.00 0.06
149.10 0.09
150.10 0.24
184.10 0.13
185.10 0.11
nvz ibun.
2204)5 0.61
2214)5 0.09
222.05 0.40
2244)5 0.06
2904)0 0.80
2914)0 0.10
2924)0 1.00
"ft abu"
293.00 0.13
294.00 0.50
295.00 0.06
296.00 0.11
-------
IUPAC Congener Na 61
2,3,4^-TETRACHLOROBIPHENYL
CAS No. 33284-53-6
CI CI
Matrix-Isolated Infrared Spectrum
• •• 1 I * 1 II] l l I I | I l I
I | 1 I l I | ¦ I 1 I | I I t
N
4000
'| i I 1 I | 1 I 1 1 I1 I
3000 2S00 2000
Wavenumber,cm-1
1500
1000
cm-1
cm-1
As
cm-1
ate
698.96
0.36
882.63
0.11
118956
0.19
135059
0.77
708.36
055
1031.48
04)6
126757
0.16
136153
0.07
766.49
0.48
106959
0.08
128250
0.19
1414.90
1.00
82452
057
1120.15
0.15
1309.64
0.07
144956
0.07
873.49
0.11
118057
021
1336.41
0.05
1499.77
0.11
mtl ate
1529.42 022
Mass Spectrum
50
Wtl
50.00 0.07
51.10 0.10
74.05 0.09
75.05 0.11
82.10 0.11
97.00 0.05
100
150 200
nVZ Ratio
250
300
350
400
450
500
mfr abun
98.00
1094)5
1104)5
1114)5
1274)5
12755
0.09
0.07
0.25
0.14
0.06
0.08
149.00 0X6
150.10 0.24
184.00 0.12
185.10 0.09
186.00 04)5
220.05 0.62
2214)5
2224)5
2234)5
224.05
290.00
291.00
¦bun
0.09
0.39
0.05
0.06
0.80
0.11
aet afccL
292.00 1.00
293.00 0.13
294.00 0.48
295.00 0.06
296.00 0.10
-------
a ci
IUPAC Congener No. 62
23,4,6-TETOACHLOROBIPHENYL
CAS No. 54230-23-7
Matrix-isolated Infrared Soectrum
I 1 I I | I l l" | 1 I I i { I i i i j i i i i Ml I l i | I i i
il
} I 1 I 1 |
3000 2500 2000
Wavenumber, cm-1
em-1
cm-1
em-1 afas
cm-1 abs
697X1
0.49
866X7
0.13
1136.42 0.16
1345.49 0.68
1568X2 0X3
71336
0X2
871.01
0.17
1178X5 0X1
1422X4 1X0
770.35
0X5
1026.78
0X6
1259.40 0.08
1447X9 0.08
819X6
0X9
1053.18
0.08
1332X4 0.11
1531X2 0.10
itess Spectrum
50
100
150 200
m/Z Ratio
250
300
350
400
450
500
ssh.
abun
50.10 0X8
51.10 0.11
61.05 0.06
74.05 0.13
75.05 0.15
92.10 0.15
mtz abun
97.00
98 X0
99.00
109.05
110X5
111.05
0.07
0.12
0.06
0.09
0.27
0.15
abun
127X5 0.10
128X5 0.10
146X0 0.06
149.10 0.10
150.10 0X8
184.10 0.15
mfz afaun
185.10 0.10
220.05 0.71
221X5 0.10
222X5 0.45
224.05 0.07
290.00 0.78
abun
291.00
292.00
293.00
294.00
296.00
0.10
1.00
0.13
0.46
0.10
-------
IUPAC Congener No. 63
23.4'^-TETRACHLOROBIPHENYL
CAS No. 74472-35-8
Matrix-isolated Infrared Spectrum
1 i 1 I | 1 1 n \ 1 1 I I | I I 1
CI CI
» l I I I I t l I | l I l
4000
1 l I { I I
3500
j I 1 I I \ I i I I | <
3000 2500 2000
Wavenumber, cm-1
cm-1
Jbs
cm-1
&&.
cm-1
abs
cm-1
ate
702.16
0.06
64122
020
110056
023
1381.84
054
71528
0.05
86621
0.19
11214)3
0.68
1404.19
029
73032
0.05
101752
0.35
1140.30
0.09
141659
055
81223
0.42
104021
055
1191.77
0.11
142652
020
81958
0.36
1087.74
0.49
1242.15
0.06
1495.18
1.00
630.16
058
1094.49
0.32
1287.19
0.11
15534)2
0.41
mtl flfcS
157228 0.19
1590J5 0 4)9
Mass Spectrum
50
mfz afaun
50.10 04)8
61.05 0.06
62.05 0.06
73.05 0.0B
74.05 0.17
75.05 0.17
86.00 0J06
100
150 200
lift Ratio
rati atxm
82.10 0.16
98.00 0.11
994)0 0.09
109.05 0.08
110.05 025
1114)5 0.16
127.05 0.08
250
mfe afamt
127.95 0.08
1464)0 0.06
149.10 0.10
150.10 025
184.10 0.13
185.10 0.10
220J05 0.64
300
350
400
450
500
mfz abcrn
2214)5 0.09
222.05 0.41
2244)5 0.06
2904)0 0.77
2914X) 0.11
2924)0 1.00
2934)0 0.13
an afeun
294.00 0.48
296.00 0.10
-------
IUPAC Congener Na 64
2»3.4'^TETRACHLOROBIPHENYL
CAS No. 52663-58-8
Matrix-Isolated Infrared Spectrum
i i i i | i i iri j i i
I i i i i I i i i i I H i i i I i » t
i r
i s ¦
N
©
4000
« • • I
3500
i | 11 1 1 j 1
3000 2500
Wavenumber, cm-1
1000
HTM
.ate
cm-1
ate
cm-1
ate
em-1
abs
69939
0.12
0X8
1139.14
0X5
1437.10
1.00
723X1
0.09
1017X3
0X0
1165X1
0.12
1451X0
0.11
748.10
0.05
1040X7
0.42
1181X7
0X2
1497X7
0.71
787.70
0.72
1094.69
0.69
1382.48
0.41
1553X1
0.06
812X0
0.35
1123X2
0X1
1402.06
0.11
1591.70
0.07
cnt-l flbs
Mass Spectrum
mi
50.10
61.05
62.05
73.05
74.05
75.05
86.00
50
abon
0.09
0.07
0X7
0X8
0.19
0.18
0.06
100
150 200
mfz Ratio
250
300
350
400
450
500
JDH BfeUL
92.10 0.17
98X0 0.12
99X0 0.10
109.05 0.08
110.05 0.24
111X5 0.16
127.05 0.08
fflfiLaajtlilL
127.95
146X0
149.10
150.10
184.10
185.10
220X5
0.08
0X7
0.10
0.26
0.14
0.11
0X6
lift i
221X5
999tK
224.05
290X0
.291X0
292X0
293X0
0.10
0.44
0.07
0.79
0.11
1.00
0.13
fift a&un
294X0 0.50
295.00 0.06
296X0 0.10
-------
IUPAC Congener No. 65
234,6-TETRACHLOROBIPHENYL
CAS No. 33284-54-7
Matrk-tsolated Infrared Spectrum
I I I i I II 1 II i
Jjj
I • • •
3500
_l | | | | J | | | | | j-
3000 2500 2000
Wave number, crn-1
fi&S
680.93
0.43
1062.76
0S7
1380.19
0.40
1499.91
0.14
700.34
1.00
116523
028
1392.02
0.73
155039
0.15
82320
0.08
125145
0.30
140724
023
1599.17
0.06
86854
0.09
13424)9
0.07
1449JO
0.06
3726.62
0.06
MassSpectfum
L
50
"*> »bun
50.00 04)7
51.00 0.09
61.05 0.05
74.05 0.10
75.05 0.11
92.00 0.12
97.00 0.05
100
150 200
mfz Ratio
250
300
350
400
450
500
mil aftm
98.00 0.10
99.00 0.05
109.05 0.07
110.05 023
111.05 0.13
126.95 0.09
127.95 0.09
OfiLp^JbUO.
146.00 0j05
149.00 0iS
150.00 025
1B4.00 0.15
185.00 0.09
186.00 04)5
219.95 0.70
nvz flbtfp.
22025 0.10
221 j95 0.46
22235 0.06
223.95 0.07
289.90 0.78
291.00 0.10
291.90 1.00
29240 0.13
293.90 0.50
294.90 0.06
295.90 0.10
-------
sasfapag
SfefefeSfcii
o o e o o o e
SSSS3S8
SSssgsp^
s»kg»883©
ooePPPP
l IkS t!% k
•*•*«*«*•*•* •Jkfcj
8SSfc£B53*
IftUUUnbb
O O O O O
-------
CI
Matrix-Isolated Infrared Spectrum
o
4000
3500
3000
1500
2000
1000
Wavenumber, cm-1
cm-1
fifes
667.38
0.16
870.00
0.05
1105.65
020
1415.88
0.11
154126
0.05
69724
0J7
886.45
0.47
1146.77
028
1453.60
028
157422
027
71355
0.09
1049.89
033
1246.47
0.06
1459.09
1.00
159126
0.08
763X8
0.17
108224
0.19
1338.01
0.16
148750
0.08
78956
0.33
1093.82
031
134829
027
150428
0.05
Mass Spectrum
450 500
MZ abuo.
292.00 1.00
293.00 0.13
294.00 0.47
296.00 0.10
LU
50
mtt abun
50.00 0.11
51.10 0.08
61.05 0.09
62.05 0.09
73.05 0.09
74.05 0.23
75.05 022
100
150 200
mte Ratio
250
300
fitt 8t2U2L
86.00 0.08
92.10 0.19
92.70 0.07
97.00 0.07
984)0 0.14
99 DO 0.11
109.05 0.10
iDfic abuiL
110.05 022
111.05 021
127.05 0.08
12755 0.08
146.00 0.08
149.00 0.11
150.10 029
350
400
ab"n
184.00
185.00
220.05
221.05
222.05
290.00
291.00
0.16
0.12
0.68
0.10
0.44
0.75
0.10
-------
IUPAC Congener No. 68
23*^^*-irTRACHLX)ROBIPHENYL
CAS No. 73575-52-7
Matrfx-iso fated Infrared Spectrum
I I 1 t | i i ri {ill
l I I J l l I J | 1 11 I
w
©
I 1 I 1 { I
4000 3500
i * | I I I i | I i ii | r
3000 2500 2000
Wavenumber, cm-1
l i l | 1 ) l l | 1 l I
1500
1000
em-1
jte
sm-1
cm-1
abs
on-1
ate
cm-1
688X6
0.17
847.53
1.00
1098X0
0X4
1376X0
0X7
1554.10
0X1
760X1
0.12
028
1110.42
0.52
1392.70
0.14
1569X0
0.77
805X7
0X7
. 872.42
0.16
1123.15
0.12
1419.06
0.46
1596X7
0.76
82426
0.18
1041.12
0.14
1288.41
0.16
1431.06
0.60
834.50
0.05
1088X3
0X9
1366X1
0.17
1482X1
0X1
MassSpectruro
50
nXz ataa.
50.10 0.09
ei.05 0X7
62.05 0.07
73.05 oxe
74.05 Oil
75.05 0.16
85.10 0X6
100
150 200
mte Ratio
250
300
350
400
450
500
92.10 0.17
98-00 0.11
99X0 0.11
109.05 0.09
110.05 0.26
111.05 0.17
123.05 0.06
JD2 B&U2L
127X5
127.95
146.00
149.10
150.10
184.10
185.10
0X7
0X7
0X6
0X9
0.24
0.13
0.11
OH fifaUL
220X5 0.65
221X5 0.10
222.05 0.41
224X5 0.07
290X0 0X0
291X0 0.10
292X0 1.00
102 fibUQ-
293.00 0.13
294.00 0.48
295.00 0.06
296.00 0.11
-------
IUPAC Congener No. 69
23',4,6-TETRACHLOROBIPHEKYL
CAS No. 60233-24-1
Matrtx-teotated Infrared Spectrum
e
4000
3500
3000
2500
1500
1000
2000
Wavenutnber, cm-l
on-1
em-1
SlWL
em-1
em-1 abs
685.41
0.18
817.49
0X7
1097.66
0.07
1390.13
0.11
1603X2 0.45
696X5
0.42
845X2
1.00
110749
0.11
1417.69
0.17
3719X6 0X6
731.33
0.18
860.68
0X5
1146.18
0.16
1433X3
0X9
767X6
0.18
102341
0X9
118549
0X0
1446.76
0X1
787.74
0.60
1082X5
0.14
1244X5
0.09
1546X9
0X1
803.47
0.18
1089X5
0X0
1372.14
0.61
1580.67
0.74
Mass Spectrum
150 200
m/z Ratio
mfr afeun
50.10 0.08
61X5 0.07
62X5 0.07
73.05 0.08
74.05 0.18
75.05 0.17
86.00 0.06
mtt atom
92.10
92.70
98.00
99.00
109.05
110.05
111.05
ah""
0.16
0.06
0.12
0.10
0.09
024
0.15
127X5
128.05
146.00
149.00
150.10
184.00
185.10
04)8
04)8
0.06
0.10
0.25
0.12
0.10
lift flhjn.
220X5 0.66
221X5 0.10
222.05 0.43
223X5 0.07
290.00 0.77
291X0 0.10
292.00 1.00
500
abun
293.00 0.13
294.00 0.49
296.00 0.10
-------
1UPAC Congener No. 70
23\4',5-TETRACHLOROBIPHENYL
CAS No. 32598-11-1
. Matrtx-fsotated Infrared Spectrum
iiii | i i Fi j i
rr
i i |i i i i i | i i i
i i i i i i i
4000
3500
I I | i i i i p
3000 2500 2000
Wavenumber, cm-1
1500
1000
cm-1
ate
em-1
em-1
em-1
679.18
0.05
86355
0.17
1135.80
0.34
1485.45
0.18
709.04
0.05
882.63
0.10
136550
0.12
155224
0.12
759.18
0.07
1033£1
051
137356
0.14
1590.42
0.09
81759
0.21
109258
0.05
1460.40
1.00
1599.11
0.10
624.20
0.22
1105.15
029
14754)1
0.09
3719.69
0.06
fllh] S&S.
MassSpecfturn
50
50.00 0.05
734)5 0.06
74.05 0.15
75.05 0.12
92.10 0.13
98.00 0.08
100
150 200
nvz Ratio
250
300
350
400
450
500
nift i .jBfemL
99J00 0.08
109.05 0.07
110.05 0.21
111.05 0.13
127.05 0.05
12735 0.05
lift 11 8&W
146.00 0.06
1494)0 0.07
150 AO 0.19
184.00 0.12
185.00 0.09
219.95 055
oft - .¦JbffL
220:95 0.08
221J95 0.35
22335 0.06
290.00 0.81
2914)0 0.11
292.00 1.00
SOU—afca.
293.00 0.13
293.90 0.49
294.90 0.06
295.90 0.10
-------
IUPAC Congener No. 71
2^',4',6-TEniACHLOROBIPHENYL
CAS Ho. 41464-46-4
Matrix-isolated Infrared Soectrum
1 l l i < j I 1 lrl 1 l i 1 l ] l l l 1 } l I l l t I l l 1 j l Ij 1
I I I I | I l
4000 3500
3000 2500
Wavenumber, cm-1
fim-1
Jte.
sm-1
afes
em-1 i
ate
66845
0.06
82442
0.11
111247
0.11
137849
048
67349
0.25
832.40
0.11
113640
044
143446
047
701.40
0.09
886.44
0.05
1154.03
0.10
1439.49
040
73947
0.19
1027.16
0.11
1194.76
043
1482.64
0.36
781.08
0.54
103841
0.47
1246.98
0.09
1498.12
0.05
789.73
1.00
108146
0.06
1280.10
0.06
1554.14
0.08
cfn-1 ahs
1563.61 047
Mass Spectrum
50
inft abyn
50.00 0.08
61.05 0.07
62.05 0.07
73.05 0.09
74.05 020
75.05 0.15
85.00 0.06
100
150 200
mft Ratio
ixft flbra.
86.00
92.00
9840
9940
109.05
11045
111.05
0.06
0.17
0.11
0.11
0.09
0.24
0.15
250
EtZ abun
123.05 047
12745 047
12845 047
149.00 0.10
15040 023
1B4.00 0.13
18540 0.10
300
350
400
450
500
MZ abun
0.66
0.10
0.41
0.07
0.79
0.11
1.00
220.05
22145
22145
22345
290.00
29140
29240
"ft abun
293.00 0.13
29440 0.47
29540 0.10
-------
IUPAC Congener No. 72
23*A5'-TCTRACHLOROBIPHENYL
CAS No. 41464-424)
Mattrtx-teofatsd fnfrared Soectfum
t i * i } i i n | i i j i | i
a ct
p-0
a ci
t i I i i i 111 i i i i I i
N
1
4000
t \ I I I I | I 4 » I J » *
3500 3000 2500
Wavenumber, cm-1
Jul
UL Hf
I j I t I I I 1 I I I I I V I
2000 1500 1000
cm-1
ctn-1
em-1
CfTV-1
em-1
flfrfs
657/43
0.14
B6339
0.60
1124.72
0.17
143031
0.17
158731
0.76
690.10
0.42
87336
0.09
113834
0.29
1438.79
035
159822
032
721.73
0.05
878.34
0.11
1246.67
0.08
147226
0.43
37224)0
0.12
733.41
0.19
1043.46
0.70
1255.41
0.06
147630
039
806.53
0.85
107381
04)5
1376.78
0.42
155836
1.00
818.10
0.49
1095.48
0.18
1393.37
0.11
156939
0.69
83739
04)6
1103.95
0.74
1417.09
0.55
157835
026
Mass Spectrum
50
50.00 04)7
614)5 0.06
62.05 0.06
734)5 0.07
74.05 0.19
75.05 0.15
854)0 04)5
100
150 200
mfe Ratio
250
300
350
400
fflft BtltflL
864)0 0.05
92.10 0.16
98.00 0.09
99.00 0.09
109.05 0.08
1104)5 0.24
1114)5 0.15
nift
1234)5 0.06
1274)5 04)7
127.95 04)7
146.00 04)6
1474)0 0.05
1494)0 0.08
150.00 021
mfz aLim
1844)0 0.12
1854)0 0.10
2204)5 0.60
2214)5 0.09
2224)5 038
22335 0.06
2904)0 0.80
450
500
m afca.
291.00 0.10
292.00 1.00
293.00 0.13
294.00 0.47
295.00 0.06
295.90 0.10
-------
IUPAC Congener No. 73
23'^ '^-'IETRACHLOROBIPHENYL
CAS No. 74338-23-1
Matrix-isolated Infrared Soeetnim
1 l l l I J I l 1 J | I 1
ci a
Ci CI
I I I I I I [ I I 1 I I I I I I I
TT
J
I L jjL—- j
11111
1000
Bli* 3 —iiS
1568.47 0X2
i i i I j I i i
4000 3500
i | i i i i | i r
3000 2500
Wavenmnber, cm-1
i r
I I i i i | I r
2000 1500
em-1
cm-1
cm-1
em-1
651.56
0.06
811.13
0X2
1099.14
0.16
1273X5
0.15
67028
0.06
825.75
021
111625
0.08
1389.83
024
688X5
0.17
831.10
0.09
1128.64
0.06
1413X8
0.84
733X8
0X8
883X8
0.30
1155X6
0.05
1436.78
0X7
780X6
0X5
1043.45
0X6
119724
022
1463.07
0.08
789.73
1.00
1086.75
020
1265X8
0.06
156? 58
0.45
Mass Spectrum
•
•
J •
1
B •
,... i j J.*.U I .ii.. J.. x i.
¦ ¦
50
MZ Bfe&L
50.10 04)8
81.15 0X7
73.05 0X9
74.05 0.23
75.05 0.18
92.10 0.19
100
150 200
mfz Ratio
250
300
350
400
"ft *h"n
98.00
99.00
109.05
110.05
111X5
123.05
0.12
0.11
0.10
027
0.18
0.08
tlft ¦¦JfeUtL
127.05 0.08
12735 0X8
149.10 0.11
150.10 027
184.10 0.14
185.10 0.11
lift —JfaSL.
220X5 0.77
221.05 0.11
222X5 0.49
224X5 0.08
290.00 0.78
291X0 0.10
450
500
BfcUL
292.00 1.00
293.00 0.13
294.00 0.47
296.00 0.10
-------
Rel. Abundance
0.4 0.8
asjjBSSgll
p o © p p p o
•a o f3 O O fc)
*vl 0> to <5 o
MU$
8S8&
o o o o
-* 0» 10 u
Rat AbeortMnos
0.2 0.4 0.6 0.8
SS88&
sfeisis
o o o o 1
o a> ~ -
feS3o2
oopp
ss
o o o o
•5 sfc is
f
*4 «t aA «A IQ
jjfeos
000^ f
-------
IUPAC Gongeser No. 75
2,4,4,,6-TETRACHLOROBIPHENYL
CAS No. 32598-12-2
Matrix-Isolated Infrared Soectrum
I I I I J I I l I | l l
I I I 1 I { I I I I J 1
I j j j r-f i i i i |
3000 2500 2000
Wavenumber. cm-i
CRM. ,
cro-.t.
tbs.
em-1
cm-1
abs,
740.46
0.46
1004X4
0X9
1246X1
0X5
1447.45
0.53
801.70
0.47
102326
0X3
1371X7
0.49
1497X6
0.18
815.72
0X1
1090X0
0.13
1389X1
0X7
1544X9
0.48
835.18
0.43
1099X3
1X0
1396X5
0.06
1564X6
0.09
860X9
0X9
1185X4
0.16
1430.45
0.47
1583.17
0X7
c^-1 abs
159733 0.06
Mass Spectrum
150 200
m* Ratio
tnte almn
50.00 0.07
61.05 0.06
62.05 0.06
73.05 0.07
74.05 0.16
75.05 0.15
66.00 0.05
mft gbu"
82.10 0.15
984)0 0.10
99.00 0.08
109.05 0.08
1104)5 0.22
111X5 0.14
123.05 0X5
mn afaun
127X5 0.08
127X5 0X8
146X0 0.06
149X0 0X9
150.10 022
184.10 0.11
185.10 0.10
mtz abm.
220.05 0.61
221X5 0.09
222X5 0X9
223X5 0.05
223X5 0X6
290.00 0X0
291.00 0.10
flbyQ-
292X0 1.00
293X0 0.13
294X0 0.48
295.00 0.06
296.00 0.10
-------
stBaaaas
fcafcaaSfc
o o o e o o o
SiSSiSSSS
I
S^sss^
fcssfeS&s
ooooPPP
S^lsfeSss
»
88*8633
h •*•*'•> b b b
tnooooSicfi
oooooool
Sjsa&ssSl
8!
£§§&&&&
p^poopo
u So s ^ ^ s
nip
888
pop
2k 8 ife
R«L Abaoibanot
0.2 0.4 0.6 0.8
?V9
I
-------
IUPAC Congener No. 77
33\4,4*-TEntACHU)ROBIPHENYL
CAS No. 32598-13-3
Matrix-Isolated infrared Spectrum
1 « 1 i | i i i i | "I 1 I 1 J I 1 | ! j 1 I 1 • || i I I 1 | ' I I
4000
I < « I |
3500
3000 2500 2000
Wavenutnber, cm-1
1500
1000
cm-1
cm-1
abs
em-1
cm-1
cm-1 abs
675JB9
0.19
86057
0.16
105258
0.11
136257
022
159732 04)6
75630
0.16
869.23
0.05
1057.07
0.11
1464.28
1.00
816.78
0.36
879.40
0.10
1137.11
0.74
1550.09
0.18
832.02
0.05
1033.56
0.29
129953
0.05
159239
0.05
Mass Spectrum
SO
mfx abun
50.00 0.09
61.05 0.06
62.05 0.06
734» 0.08
74.05 0.21
75.05 0.16
100
150 200
mfe Ratio
abun
854)0 0.07
82.00 0.17
984)0 0.10
99.00 0.12
109.05 0.10
110.05 0.26
250
a&vn
111.05 0.17
127.05 04)6
12755 Oj06
146.00 0.08
149 AO 0.08
150.00 0.20
300
350
400
450
500
1844)0 0.13
185.00 0.10
220.05 055
2214)5 0.08
22155 0.36
2904)0 0.76
tnft abun
291.00 0.10
292.00 1.00
2934)0 0.12
294.00 0.47
29550 0.10
-------
IUPAC Congener No. 78
33*»4^-TETRACHLOROBIPHENYL
CAS No. 70362-49-1
Matrix-Isolated Infrared Spectmm
t i i t | i i n ) i i
4000
"l i t {
3500
» r
a ci
a
i i 111 i i i i I i i r
ililJlLJ,
§ i i { t i i i y i i i » | i i i i { i i i i { i i i
3000 2500 2000 1500 1000
Wavenumber, cm-1
em-1
em-1
cm-1
em-1
649.70
0.05
811.72
0.73
110643
046
1413^8
0.07
65648
0.09
86947
0.40
1163.71
044
1424.04
043
667.44
0.05 -
87648
0.15
118346
0.06
143644
045
69447
0.18
104048
0.15
1204.62
0.15
1486.49
0.10
731.45
0.48
1075.19
0.11
124944
0.06
154640
140
78644
0.69
108548
0.18
136944
0.72
1577.41
042
i^irl
1587.70 OSS
Mass Spectrum
50
nft itvn
51-00 0.05
61.05 0.05
62.05 0.04
7345 0.05
74.05 0.15
75.05 0.16
92.10 0.15
100
150 200
Ratio
ah""
9740 0.04
98.00 0.09
99430 0.06
109.05 0.07
110.05 0-27
111.05 0.17
123-05 0.04
250
afa""
12745 0.07
12845 0.07
14540 0.04
14640 0.05
14740 044
149.10 0.08
150.10 022
300
350
400
450
500
mtt abun
184.10
185.10
220.05
221.05
22245
224.05
290.00
0.12
0.09
0.58
0.08
046
0.05
0.77
il^ *bun
291.00 0.09
292.00 1.00
293.00 0.12
294.00 0.47
295.00 0.05
296.00 0.09
-------
IUPAC Congener Na 79
33\4^'-TETRACHIX3ROBIPHENYL
CAS No. 41464-48-6
CM
I i I I { < i i I { I 1 < I j i i I i j I 1 t
4000 3500 3000 2500 2000
Wavenumber, cm-1
_ii In. I
I < i i | i I i
1500 1000
oifcl fibs.
sod—
Bb?
cm-1
ate
cm-1 i
B&S.
on-1 i
Bbs
658.72
0.09
823.71
058
1074.11
051
129450
0.09
66855
0.23
83254
0.09
109754
0.10
136854
055
67553
0.14
836.00
0.09
110552
0.11
143447
0.61
688.20
051
861.62
0.40
112352
058
1481.11
0.68
72856
056
871.66
054
1138.15
056
155252
059
80657
1.00
1034.03
043
129053
0.08
1566.66
052
157554 0.45
Mass Spectrum
50
mfr abun
50.00 0.08
B1.05 0.05
62.05 0.06
73.05 0.07
74.05 0.18
75.05 0.15
85.00 0.06
100
150 200
mfe Ratio
250
300
350
400
abun
92.10
98.00
99.00
109.05
110.05
111.05
127.05
0.15
0.09
0.10
0.09
054
0.15
0.07
SB& B&U2L
12755 0.07
14650 0.06
14950 0.08
150.10 0.19
184.00 0.12
185.00 0.10
186.00 0.05
22055
221.05
222.05
22355
290.00
29150
29250
055
0.08
055
0.06
050
0.10
1.00
450
500
fnfz abun
293.00 0.13
294.00 0.48
295.00 0.06
296.00 0.10
-------
IUPAC Congener No. 80
33'.5^*-TCTRACHLOROBIPHENYL
CAS No. 33284-52-5
Matrix-Isolated Infrared Spectrum
i » » i I i i i i | i i I I ™j" i T* r
CI CI
O CI
I ' ' ' Ml
CM
I I i I
I 1 1 1
4
I
i i i i | i i i f | ill i | i i I i | I 1 '1 1 { i I I i f I
4000 3500 3000 2500 2000 1500 1000
Wavenumber, cm-1
flQJ ate
672.41 0.19
679.49 0.10
805.81 0.67
finJ ate
824.23 0.06
858.28 028
108131 0.08
«n-i
1086.84 04)8
1098.21 0X6
1106.36 0.12
ew-1 "fas
112938 0.47
1378.61 0.31
1411X6 0.28
""•1 abs
1419.46 0.14
1559.64 1X0
Mass Spectrum
1 1
i
i
¦
i
i
¦
i
•
m
I
•
r
50
Oft gbtm
50.10 0X8
61X5 0X6
62X5 0X6
73.05 0.07
74.05 0.21
75.05 0.16
85.00 0X6
100
150 200
mfz Ratio
250
300
350
400
450
500
lift flfailL
86X0
92.10
98.00
99X0
109X5
110X5
111X5
0.05
0.18
0.10
0.10
0.09
0.27
0.17
123X5
127X5
127X5
146.00
149.10
150.10
184.10
0.05
0.07
0.07
0X6
0.09
0.21
0.13
mH abun
185.10
220X5
221X5
222X5
224X5
290X0
291X0
m& a&iL
0.10
0.57
0.08
036
0.05
0.77
0.10
292.00
293.00
294.00
295.00
296.00
1.00
0.13
0.47
0.05
0.10
-------
IUPAC Congener No. 81
3,4,4 '^-TETRACHIXJROBIPHENYL
CAS No. 70362-50-4
Matrix-Isolated Infrared Spectrum
i1 I1" 1 ¦' i i
3500
3000
2500
4000
2000
1500
1000
Wavenumber, cm-1
em-1
em-1
em-1
em-1 abs
719.24
021
68036 0.09
1202.67
0.11
143332
1.00
1591.61 0.18
608.70
0.42
10164)8 038
1251.49
0.06
149631
0.43
1599.49 020
81336
038
1038.14 0.08
1289.65
0.12
1503.08
034
83051
036
109830 0.74
137326
0.40
154330
0.67
84428
0.11
116333 0-20
1413.42
0.10
1578.61
0.06
Massspectrurn
50
rrt* abon
50.10 0.07
51.10 0.06
61.05 0.05
62.05 0.06
73.05 0.06
74.05 0.15
75.05 0.16
100
150 200
mft Ratio
250
300
350
400
450
500
an abuo.
92.10 0.14
834)0 0.05
98-00 0.09
994)0 0.06
109.05 0.07
110.05 0.24
111.05 0.15
tnfr
JfeUDL
1274)5 04)7
1284)5 0.07
1454)0 0.05
146.00 0.06
149.10 04)8
150.10 022
184.10 0.13
ah""
185.10
2204)5
2214)5
222.05
2244)5
2904)0
2914)0
0.10
0-57
0.08
0.36
0.05
0.78
0.10
lift atom.
2924)0 1.00
293.00 0.13
294.00 0.48
295.00 0.06
296.00 0.10
-------
Ret. Abundant*
0.4 0.6
tSRStaaafl
888885
o o o o o o e
• • * • • _ • •
¦A «A «4 «A M «A «A
•I U a«4iA«lMB
fcB38S8«*
&&&Sfe&8
o o o o o o P
8 -
8
«Mk
s
o o o o o o e
ioub^uui
-* o -« ro u w £
SfeSSSfefe
o «* o o o o o
SfcfcSfe&fe
M$ §
88
O O
sssssl
fekfefes
o o o o o jt
£8t388B
kisScfcie
POOP ^
gfeSfcis
^ a a o O 3
asslS!
£3fel3*3
OOOOO
3
• ~ _ • -
333p
mA mtk <¦& adI aA
3§SSs
iSBSiiSSJ
iiSls
mm mm
58
kiss
b j
o «*
w
t
-------
IUPAC Congener No. 83
M^^-PENTACHIjOROBIPHENYL
CAS No. 60145-20-2
CI CI CI CI
Matrix-Isolated Infrared Spectrum
< i i i J I ill | J 1 l j I
I I 1 | J J I I ] I I I 1 j I I I
I
4000
I I i I |
3500
i i r | i i i i | i i i i | i i i i
3000 2500 2000
Wtvenumber, cm-1
J* jJl.i Jl
1500
1000
cm-1 abs
cm-1
ate
cm-1
fibs
cm-1
em-1
ate
67725
0.13
86730
025
115830
0.14
140435
033
155834
033
722.49
029
1040J5
033
118821
0.07
141332
1.00
156531
029
72639
025
105529
0.17
1197.18
0.05
141935
030
157623
031
74951
026
1094.64
020
1203.10
0.05
1429.03
029
159031
023
787.60
038
112338
030
1293.44
0.07
1444.69
0.06
83428
029
113933
0.09
1386.01
033
1464.43
0.15
Mass Spectrum
100
150 200
m/z Ratio
500
WtZ fi&UEL
614)5 0.12
73.05 0.15
7435 027
75.05 0.11
85.00 0.11
92.00 0.16
98.00 0.1S
mtL abyjL
99.00 0.11
109.05 036
110.05 024
122.05 0.11
126.95 039
12735 035
128.95 0.11
mtl abun
145.00 0.12
149.00 0.11
1844)0 0.44
186.00 0.14
21795 0.13
21895 0.13
25395 051
nVz abun
25435 0.13
25595 039
25695 0.11
25795 028
28890 0.46
29090 037
29290 029
«"* flbun
323.95
326.00
326.90
327.90
329.90
0.60
1.00
0.13
0.63
0.19
-------
XUPAC Congener No. 84
2^\33'>fentachijorobifhenyl
CAS No. 52663-60-2
Matrix-Isolated Infrared Soectium
• I i i J I i I i i i i i
a a a ci
$-8
N
Ci
\ i i i i [ i i i i mi i i i | i i i
I 1 1 i | I 1 l i { J J i I | J I J i | i I i J j iTl I J I J
4000 3500
3000 2500 2000 1500
Wavenumber. cm-1
1000
""-I «*>s
663.71 0.05
669.37 0.14
679.63 025
72521 023
74134 0.14
em-1 «*»
751.54 029
78520 0.60
812.36 022
861.87 04)6
104459 0.68
ew-1 «bs
1050.02 0.05
106228 0.32
111321 0.06
1158.14 0.14
1178.49 0.64
em-1 afas
119626 0.11
1385.73 051
141424 029
143423 1.00
1469.46 0.05
BBJ &S.
155756 0.06
156623 0.10
159154 0.17
Mass Spectrum
SO
m item.
6125 0.13
73.05 0.17
74.05 027
75.05 0.10
65.00 0.12
86.00 0.10
92.00 0.15
100
ISO 200
m/z Ratio
mft ¦—ifen
9820
9920
10925
110.05
12225
12725
12725
0.17
0.10
023
023
0.11
024
020
250
mft abun
12825 0.10
145.00 0.10
149.10 0.10
164.10 0.40
186.10 0.12
21825 0.11
219.05 0.12
300
350
400
JS& BbUD.
254.05
255.05
25625
257.05
25825
289.00
291.00
025
0.12
022
0.11
026
0.42
054
450
500
XD& tiUEL
293.00 026
323.95 022
326.00 1.00
327.00 0.13
328.00 0.64
330.00 020
-------
JUPAC Congener No. 85
2^'3,4,4'-PENTACHLOROBIPHENYL
CAS No. 65510-45-4
Ci CI CI
a
Matrix-isolated Infrared Soectrum
i i i i | i i j i
i i i | i i i i |
12
?!
I I
TT
I r
I | 11 I I j I I 1 I | 1 I J I |
4000 3500 3000 2500 2000
Wavenumber, em-1
4
1500
A
oik]
jte
cm-1
em-1
fife
cm-1
ate
em-1 abs
794.71
057
871.00
0.10
1108.78
0X6
1372X4
0.06
1579.67 0.16
817X4
0X3
1031.18
0X7
1143.08
0X7
1385.47
0.05
1590.79 0.12
827.48
0.13
1077X3
0.08
1179.02
0X2
1440X4
1.00
-
853X3
0.10
1103.75
0.13
1362.46
0X0
1487X5
0.14
Mass Spectrum
50
100
150 200
mft Ratio
61.05 0.12
73X5 0.16
74.05 026
85X0 0.12
82.00 0.16
98.00 0.18
99.00 0.12
JDft BfaUQ.
109X5 0.32
110X5 023
127.05 0.35
127X5 0.33
128X5 0.11
145.00 0.11
184.10 0X8
250
mz abuD.
186.10 0.11
218.05 0.11
219.05 0.11
254.05 0X3
255.05 0.11
256.05 0.79
257X5 0.10
300
350
400
450
500
EStZ flbUQ.
258.05 0.25
289X0 0X0
291X0 0X6
293X0 0.13
323X5 0.64
326X0 1.00
327X0 0.12
rote abun
328.00
330.00
0.63
0X1
-------
IUPAC Congener No. 86
Z2'A4^-HENTACHLC«OBIPHENYL
CAS No. 55312-69-1
Matrtx-lsofsted Infrared Spectrum
> i i i | i l it | l i i i | i i i i |
a CI CI
i i i r
| I I I I | I I I
3000 2500 2000
Wavenumber. cm-1
1500
cm-1
jfe
cm-1
abs
em-1
ate
657.45
0.05
829-52
027
1132.64
0.06
1293.71
0.14
mxs
0.07
ftR? 9fl
0.11
117854
028
135022
021
678.02
0.19
1036*9
0.08
119024
0.11
1359.70
0.13
731.11
024
1049.71
0.19
1250.65
0.09
1409.74
14)0
736.93
0.49
108525
0.15
1255.15
0.09
1430.46
0.07
759.31
0.69
112439
0.10
126922
0.05
1439*1
0.17
1000
snti ate
1443.10 0.18
1484.57 0.14
1532.45 0.14
Mass Spectrum
50
m *tjUn
100
150 200
Ratio
250
300
350
400
504)0
61.05
73.05
74.05
75.05
92.00
S8.00
0.11
0.11
0.12
0.17
0.13
0.17
0.15
BUt BfeflL
108.00 0.11
109.05 0.29
110.05 024
122.05 0.11
126*5 0.40
127.95 0.38
128.95 0.12
mtt jteup.
145.00 0.13
149.00 0.12
184.00 0.42
186.00 0.14
218.05 0.14
219.05 0.11
254.05 0S0
255.05
258.05
257.05
257*5
289.00
291.00
293J00
0.12
0.86
0.11
029
029
028
0.18
450
500
wtz atea.
323.95
326.00
327.00
328.00
330.00
0.63
1.00
0.13
0.66
020
-------
IUPAC Congener No. 87
wa^^eentachlorobiphenyl
CAS No. 3838002-8
Matrix-Isolated Infrared Spectrum
I I I < | I 1 J l j i I i I { I I i 1 | 1 I < I |
ci ci a
ei-0~"
ci
i i i i
i • » •
i i i i I i i i i j i i i i I i i
4000 3500 3000 2500
Wavenumber, cm-1
cm-1
ate
abs
cm-1
cm-1
abs
754.30
045
87353
0.18
113842
0.09
1387.19
0.10
75942
0.14
88546
0.06
1179.69
0.32
144441
1.00
788.19
049 '
103742
048
1354.03
0.12
147645
0.17
3
at
w
CO
0.41
1101.17
044
1363.65
042
156441
045
Mass Spectrum
50
nvz abun
61.05
73.05
74.05
75.05
85.00
92.00
98.00
0.12
0.16
048
0.11
0.10
0.17
0.18
100
150 200
mfe Ratio
iritt abun.
99.00 0.11
109.05 048
11045 046
122.05 0.10
126.95 0.43
12745 0.40
12845 0.12
250
300
350
400
450
500
¦"ft "fau"
145.00 0.10
164.00 0.41
186.00 0.12
21745 0.12
21945 0.11
254.05 0.85
255.05 0.11
»"* "bun
256.05 044
25745 0.09
25755 0.26
289.00 046
29140 042
29340 0.14
32345 0 48
abun
326.00 140
327.00 0.12
328.00 0.64
330.00 0.18
-------
IUPAC Congener No. 88
2J2\3^,6-FENTACHLOROBIPHENYL
CAS No. 55215-17-3
Matrix-Isolated Infrared Spectrum
llll | I I Ft |
a ci a
a
I i i i < I i i 'i i I i i i i { i
w
4000
1 i i | I I I
3000 2500 2000
Wavenumber, cm-1
1500
cm-1
ate
cnvl abs
cm-1_ „
ate
ate
65640
0.05
825.10
049
1083.86
043
1267.43
045
677.79
044
86441
042
112944
0.10
1273.44
0.05
73348
0.17
87441
0.17
114046
041
1346.11
1.00
74246
0.77
1031.13
0.14
1178.41
045
142448
046
76142
045
104049
040
124448
0.11
144341
045
1000
SOLI Ste
1536.45 024
1570.42 0.41
1594£5 0.07
Mass Spectrum
~U.
50
WtZ tiSOL
61.05
73.05
74.05
75.05
92.10
98.00
109.05
0.11
0.13
0.1S
0.13
0.18
0.15
028
i.U 1.*l,
100
I "
150 200
m/z Ratio
«bun
110.05
12745
12745
12845
14540
149.10
184.10
043
048
045
0.10
0.13
0.12
0.45
i
250
tan tim.
18640 0.14
21845 0.12
21945 0.10
25445 048
25545 0.12
25645 045
25745 0.10
300
350
400
mfr
¦faun
258.05 046
289.00 042
29140 0.40
293.00 0.19
32345 0.64
32640 1.00
32740 0.12
450
500
m abvn
32840 0.65
33040 0.19
-------
IUPAC Congener No. 89
W3,4,6*-PENTACHLOROBIPHENYL
CAS No. 73575-57-2
O CI a
Matrix-Isolated Infrared Spectrum
t < i I I I l 1 i I I I 1
JLl
i i > i { i i i r j t i i i | i i i i \ bi i i
4000 3500 3000 2500 2000
Wavenumber, cm-1
and
ate
cm-1
and-.,
cm-1 «bs
703.64
0.07
820.79
0.06
1189.86
0.10
143537 0.77
737.75
0.13
841.78
0.31
1197.13
0.15
1473.44 0.10
778.75
0.48
1099.05
0.09
128239
0.05
156334 0.27
78456
0.47
115757
0.08
1368.81
0.48
157733 0.11
79157
0.87
1178.19
0.40
143024
1.00
158353 0.10
cm-1 ab§
Mass Spectrum
50
100 150 200
250
300
350
4
mfr Ratio
mf*
mti atxm
mte
814)5
011
99 DO 0.10
186.00
0.10
25755
024
73.05
0.15
109.05 028
21755
0.10
289.00
021
74.05
022
110.05 021
21835
0.10
29050
0.42
75.05
0.09
122.05 0.09
254.05
0.79
29250
021
85.00
0.10
127.05 027
255.05
0.11
32355
0.64
92.00
0.13
127.95 026 .
25555
0.71
32650
1.00
98.00
0.15
184.00 0.33
25655
0.09
327.00
0.12
400
450
500
intt atom
328.00
330.00
0.61
0.21
-------
Ret. Abundance
0.4 0.8
Igfsaaas
88SaS!fc
popppp
mJk mA ^3 ^
otuSuko
•ft «A «A •* in 3
ISiill^
o o o o o P
&kfc&&o
8 -
8
8
„^22S$I
pi^vnSjE *
& & & <3* o o
popppoI
^ «J«A «A a il 2
•A0OO-*S 9
g«ggss^
SfeS&fefe
o o o o o o
S8l*fc£i!
Is^sis
o o o -* o
l*&j58fc
_ 58821
fefe^fefek
^oeopo 1
&fefe!s§&*
11185k
iUfc-S® "
ooooPP
ytabiteRfc
«A «A «A mA «A aft PJ
£ltaScl«
D40000
^8o»^
l3SS3feb!
R
o o o o
fefcii88ftiS
eo |
*
**SSi
N
O O O O
in $) £ iS
RH. Absoibanoe
0.4 0.6 0.0
0.2
a.
o
»
-------
IUPAC Congener No. 91
W3,4',6-FENTACHLOROBIPHENYL
CAS No. 58194-05-8
a ci o
Matrix-Isolated Infrared Spectrum
I I I I | I I Trl j I I I I | I
CI
CI
I I J I I I I I II 1 I I I 1 II
M
4000
i « J I I I I | 1 1 II |
3000 2500 2000
Wtvenumber, cm-1
em-1
em-1
em-1 ahs
756.46
029
869.43
020
112425
0.12
1392.18
027
156028 0.13
80923
0.66
1026.41
0.12
114429
0.19
1428.69
029
157227 028
824.77
0.10
1078.02
0.10
117823
0.46
143828
1.00
84649
0.79
110742
053
1375.63
0.16
148529
027
Mass Spectrum
50
61-05 0.11
73 JOS 0.15
74.05 023
85.00 OilO
92.00 0.13
98.00 0.16
100
150 200
mteftaUo
250
300
350
400
450
500
mft abun
109.05 028
110.05 020
127.05 0.30
12755 028
184.10 024
186.10 0.11
ITItt JfeUfl.
218.05 0.10
219.05 0.10
254.05 0.75
255.05 0.11
256.05 0.72
257.05 0.09
JDSLm. nflfatfO—
258.05 023
289.00 027
291.00 034
293.00 0.16
32355 0.63
326.00 1.00
oft abuo.
327.00 0.13
328.00 0.65
330.00 021
-------
IUPAC Coogener No. 92
2£*3
-------
Ref. Abundance
0.4 0.8
S8I85I3J5J2
8888888
o o o o o o
l, U U U U U It
^OIOOOINO
8 -
*. 8 •
•* «* «* «*«4«»dl 3
fit88t3Bp5
ssfeaaai
M JO
00000007 °
58S8iSS?3 |
p^isS
viuiuigiooo
eeeoeep
v* faft mM
NttrfrfUNN
8
o o o o o o o
** i* & j* fe
8SSS
o o p «*
fcfciSS
ii i
i »,.
aSSil
fekfeii
o o o b]
wfe ¦&
Sfii
pp
i •*
«¦¦ «m mm «•
S3SS
sssts
o o © o
83t«S
•* «¦* a* •*
SS8S
PP-P
cScSgfc
&fe$$
mntn -
& M
S ul3
Rel Abfloibano*
02. 0.4 0.6
« '
-------
IUPAC Cbagener No. 94
W3f5,6'-PENTACHLOROBIPHENYL
CAS No. 73575-55-0
Matrix-feofated Infra ned Soectrum
t I 1 l j I i Tr i | i i i i j i i »
a CI CI
a a
i i r
I | I I i I | I I I
| II 1 I | 1 I II | '1 IT 1
3000 2500 2000 1500
Wavenumber, cm-1
em-1
cm-1
cm-1
em-1
flbfr
67336
0.08
867.62
029
1133.12
0X9
1277.01
0.14
1560.15
0.46
739X5
026
1032JB3
0.40
115522
0X5
1385.79
0.62
1565.77
0J54
780.67
0.56
1038.68
0.06
1190.14
0.15
1408.92
1.00
1577.01
0.06
79427
0.83
1067.75
0.08
1199.27
0.17
1426.12
0.30
1585.29
0.13
826.94
0.19
1094.50
029
124821
0.10
1438.18
040
83922
034
1122J6
033
1257JO
0X5
1463.62
0.14
MassSpecmirn
50
100 150 200
250 300
350
400
450
500
maRaito
nfz
gfetm
mfe abun
fnfz abun
nVz
abun
mfz
flfevn
mmmammmm¦
61X5
0.14
99X0 0.12
145X0 0.12
256.05
0X8
326.00
1X0
73X5
0.19
109.05 0.38
184.10 0.44
257X5
0.11
327.00
0.12
74X5
029
110.05 028
186.10 0.13
258X5
028
328.00
0.63
75X5
0.11
122.05 0.12
218.05 0.11
289X0
0.38
330.00
020
85.00
0.11
127.05 0.42
219X5 0.12
291X0
0.48
92.00
0.18
128.05 037
254X5 0X4
293X0
023
98X0
0.20
128X5 0.11
255X5 0.13
323X5
0.61
-------
IUPAC Congener No. 95
2^\3£\6-PENTACHLOROBlPHENYL
CAS No. 38379-99-6
Matrtx-lsotated Infrared Spectrum
o
o
3500
2500
2000
1500
1000
4000
3000
Wavenumber, cm-1
cm-1 abs
653.01 0.06
73829 020
74934 0.11
816.16 1.00
865.76 0.06
e»v1
884.43 0.07
1033.60 0.82
1078.44 0.09
1088.73 0.20
1098.85 0.77
BfeS.
1124.64 0.11
1137.40 0.15
114056 0.13
1180.75 0.79
136524 022
1400.12 0.38
1436.62 0.77
1443.75 0.68
1478.29 0.46
1557.58 0.10
cm-1 abs
1565.37 0.10
1591.43 0.16
Mass Spectrum
6125
73.05
74.05
75.05
85.00
92.00
98.00
50
abun
0.09
0.14
022
0.08
0.09
0.12
0.15
100
150 200
mtz Ratio
abun
99.00 0.08
109.05 027
110.05 0.19
122.05 0.08
128.95 028
127.95 026
12835 0.08
250
m* abun
149.00 0.08
16235 04)9
184.00 024
186.00 0.10
21725 029
21825 0.10
254.05 0.73
300
350
400
m ahn
25425 0.10
25525 0.70
25625 0.09
25725 022
289.00 029
291.00 027
29220 0.18
450
500
n& abvn
32325
325.00
326.00
327.00
328.00
330.00
0.62
0.08
1.00
0.13
0.63
020
-------
IUPAC Congener No. 96
2a^A6'-PENTACHLOROBIPHENYL
CAS No. 73575-54-9
Matrix-Isolated Wrared Spectrum
T1 iri»
O
e
3500
4000
3000
1500
1000
2000
2500
Wavenumber, cm-1
Sbf
em-1
em-1
cm-1
cm-1 abs
675.42
0.09
81222
0.50
108328
0.17
118829
0.09
1565.10 026
73436
0.06
838.65
0.18
1128.45
0.08
138028
0.41
1591.57 0.14
742.15
0.07
1028.18
022
114240
0.10
1429.60
14)0
77828
023
1071.03
Dj06
1179.63
0.62
143726
0.75
796JO
0.79
1077.68
04)7
11934)5
0.10
147029
0.06
Mass Spectrum
50
mfz abun
61.05 0.10
73.05 0.14
74.05 020
75.05 0.08
85.00 0.09
92.10 0.12
100
150 200
mte Ratio
250
300
350
400
450
500
96.00 0.15
1094)5 0.28
110.05 020
122.05 0.09
127.05 029
127:95 026
an abua.
12825 0.08
163.05 0.11
184.10 023
186.10 0.10
2184)5 0.08
219.05 0.09
m BtiUQ-
2544)5 0.66
2554)5 0.09
2564)5 0.63
2S8.05 020
323.95 0.62
326.00 1.00
nft abw
327.00 0.13
328.00 0.64
330.00 020
-------
IUPAC Congener Ho. 97
2^'3',4^-PENTACHLOROBIPHENYL
CAS No. 41464-51-1
Matrix-Isolated infrared Spectrum
I I I I | l l FT | l 1 l l j l l l
ci ci ci
CI
II I III I
rr
¦ i
M
4000
| I I I I | I I I I \ I
3000 2500 2000
Wavenumber. cm-1
cm-1
cm-1
cm-1
650.63
0.07
789.15
0-29
109430
035
1343.79
020
683.07
0.07
889.55
0.26
1121.72
0.13
1417.89
032
726.66
0.25
695.02
0.19
1144.20
0.18
1445.71
1.00
736.44
0.18
1045.71
0.20
115535
0.10
1476.13
036
769.66
0.08
106037
039
119831
0.05
156&52
0.09
SStl fifes.
Mass Spectrum
1.I.U i A
plU*.
150 200
mfe Ratio
50
raft abun
100
250
300
350
400
450
500
61.05
73.05
74.05
85.00
92.00
98.00
99.00
0.10
0.12
0.21
0.09
0.13
0.14
0.08
abon
109.05
110.05
122.05
12635
12735
128.95
145.00
0.27
0.19
0.08
0.29
0.27
0.09
0.09
184.00 0-33
18630 0.10
218.05 0.10
219.05 0.10
254.05 0.77
255.05 0.11
256.05 0.73
lift filflff]
25735 0.09
258.05 0.23
289DO 032
291.00 039
292SO 0.14
323.95 0.62
325.00 0.08
inft abun
326.00 1.00
327.00 0.12
328.00 0.63
330.00 0.20
-------
CI Ci CI
IUPAC Congener No. 98
W^'^phntachlorobiphenyl
CAS Ha 60233-25-2
Matrix-Isolated infrared Spectrum
1 I ill { I 1 T I | I i I i | l l i I | i I I I | l l I I |
A
4000
I I j I
3500
TT
nm
3000
t I 1 I I I
2500
Wavenumber, cm-1
l | l I l I | I I
2000 1500
sm-1
ate
cm-1
ate
em-1
ate
cm-1
ate
cm-1
72246
0.15
819.66
044
1149.70
0.14
1389.79
0.16
154744
045
731.47
0.17
848.72
140
1157.44
048
140342
0.05
156443
0.18
737.75
0.17
859.46
046
1184.77
0.12
141341
0.66
1579.75
044
771.44
046
1028.14
048
1198.71
0.09
143140
043
1593.79
0.41
78540
043
105446
048
1367.10
040
1445.47
0.13
80541
0.10
1125.00
0.15
1375.04
045
147944
048
dassSpectrum
50 100 150 200 250 300 350 400 450 500
tnfz Ratio
H^ZLmmmJEEEi&iUl
61.05 0.10 109.05 040 184.10 045 25&05 0.78 32355 0.65
73.05 0.13 110.05 0.21 186.10 0.11 2574)5 0.11 32640 1.00
74.05 042 122.05 0.10 21845 0.11 25845 045 327.00 0.14
85.00 0.10 127.05 041 21945 0.11 289.00 044 328.00 0.67
92.00 0.13 127.95 048 254.05 041 29140 0.43 330.00 041
98.00 0.15 145.00 0.10 255.05 0.12 29340 040
-------
a a
IUPAC Congener No. 99
2^',4,4'^-PENTACHLOROBIPHENYL
CAS No. 38380-01-7
Matrix-Isolated Infrared SDectmm
l * I l j I I lrl | II I i | i i ii | i II l 11 l i i l | i i "l
2.
4000
T I
3500
JlJ
T • ' • • I
3000 2500
Wavenumber, cm-1
2000
T-TT
1500
iM-kJi— I
1 I ' 1
1000
cm-1
em-1
,pbf
cm-1
cm-1 abs
675X7
0.10
870.79
0.19
1098.15
0X0
1379X1
0.10
1560.10 0X7
73259
0.05
892X1
0.14
1107X3
0X8
1450.63
0.77
1588.09 022
801.05
0.61
1029.43
028
1141X4
0X3
1456X1
1.00
82328
028
1074.54
0X4
134627
025
1488X7
0.11
Mass Spectrum
150 200
mtz Ratio
Hlft
50X0 0X9
61.05 0.11
73X5 0.14
74X5 024
75X5 0X9
85.00 0.10
86.00 0.09
92X0 0.12
97X0 0X8
98X0 0.16
99X0 0X9
109.05 0.26
110.05 0.18
122.05 0.08
126X5 026
127X5 024
184.10 0.29
186.00 0X9
218X5 0.10
219X5 0.10
254X5 0.67
102 B&UQ.
255X5 0.10
256.05 0.67
2S7X5 0.09
258X5 022
289X0 0.12
291.00 0.15
323X5 0.63
500
m tiuo.
325.00
326.00
327.00
328.00
330.00
0.08
1.00
0.13
0.66
021
-------
IUPAC Congener No. 100
2^',4,4'^-PENTACHLOROBIPHENYL
CAS No. 39485-83-1
Ci CI
Matrix-Isolated Infrared Soeetrum
I I I t \ l l l1! | I I I
N
I 1 "M | I I J 1 | I 1 1 I 1 1 J I ) | 1 I 1
4000 3500 3000 2500
Wavenuntoer, cm-1
2000
1500
1000
em-1
tiff
em-i
em-1
em-1 <
abs
79958
1.00
869.73
0.17
1143.16
0.18
1446.68
0X3
81527
0.41
100358
023
1185X2
0.11
1491X8
0.09
82521
0.05
106759
0.11
137223
0.43
1547.17
0X2
843.81
0.09
1098.64
0.67
1390.74
0.15
1559X8
0.14
859.71
0.31
1107.16
022
1432X7
0X5
1580.12
0.68
cnM abs
Mass SpectTum
50
wfz afaun
61.05 0X9
73.05 0.12
74.05 0.19
92.00 0.12
98.00 0.13
109X5 023
100
150 200
mtt Ratto
250
300
350
400
450
500
"bun
110.05 0.17
126.95 026
12755 024
145.10 0.08
184.00 OJ30
186.00 0.09
an abm.
217X5 0.09
218.95 0.09
25335 0.68
25455 0.10
255X5 0.67
256X5 0.08
mft at*w
25755 021
289.00 0.18
29050 023
29230 0.11
32355 0.81
325X0 0.08
rn abon
326.00 1-00
327X0 0.13
328.00 0.63
329.90 0.20
-------
IUPAC Congener Na 101
2£\4^FENTAOiLOROBIPHENYL
CAS No. 37680-73-2
Matrlx-fsolated Infrared Spectrum
llll |Tl iH | i i
I 1 I i
ci a
ci ci
{ i i j i |i i i i < I i j
jmT^n i i p
3000 2500 2000
Wavsnumber, cm-1
cm-1 abs
cm-1
em-1
cm-1
673.69 0.12
88525
020
110123
0.61
1383.09
0.13
1480.69
033
71420 0.05
891.72
031
1144.17
0.42
1389.39
022
1563.05
0.05
731.16 0.07
103434
033
1248.41
0.05
1429.00
0.07
818.58 032
1075.41
0.42
1344.91
026
1457.81
1.00
Mass Spectrum
SO
JD&C sbus.
61.05 0.08
73.05 0.11
74.05 0.19
82.00 0.12
98.00 0.13
109.05 025
100
150 200
Rift Ratio
250
300
350
400
110.05 0.17
127.05 0.28
127.95 026
184.10 0.30
186.00 0.09
217.95 0.09
219.05 0.09
254.05 0.70
255.05 0.10
256.05 0.68
257.05 0.09
258.05 0.21
ITft 8&tfT
289.00 0.16
291.00 020
2934)0 0.09
32335 0.63
325.00 0.08
326.00 1.00
450
500
flb(jn
327.00 0.13
328.00 0.65
329.00 0.08
330.00 0.20
-------
IUPAC Congener No. 102
2J',4^^*-PENTACHLOROBIPHENYL
CAS No. 681944)6-9
Martrtc-lsotafed infrared Spectrum
N
3500
4000
3000
8500
2000
1500
1000
Wavenumber,cm-1
cm-1 tbs
682.14 0.13
726-72 007
741.69 0.11
781X1 0.44
793.10 0X4
«n"
867.65 0.09
873.78 0.13
889.31 0.11
1026.62 0.11
1031 X1 0.14
BJtl tbs.
1074.05 0.12
1682.16 0.09
1096.78 0.35
1116.77 023
1144.51 0.16
1155.06 0.05
1190.16 0X5
1199.18 0.10
1244.68 0.05
1342.79 025
C"v1 *bs
143829 1X0
147730 0.34
1564.83 024
15804)9 0.10
Mass Spectrum
50
j.ijtl i I, > L_1
ntt atea.
61.05 0.11
73.05 0.15
74.05 023
92X0 0.13
98.00 0.16
109X5 0X0
100
150 200
mte Rafio
102 fltUEL
110X5 022
122X5 0.10
127X5 0X5
127X5 0X2
128X5 0.10
184.10 0X6
250
300
lift SfeuL
186.10 0.12
218X5 0.11
219X5 0.10
254.05 0X1
255.05 0-11
256.05 0X0
350
400
Mz afea.
257X5 0.10
258X5 025
289X0 023
291X0 029
293X0 0.13
323X5 0.63
450
500
nft, abun
326.00 1.00
327.00 0.13
328.00 0.66
330.00 021
-------
a
Ci
Matrix-Isolated Infrared Spectrum
o
i
3500
4000
3000
2500
2000
1500
1000
Wavenumber, cm-1
flbs
cm-1
80S
em-1
Btffi
cm-1
8ft
649.61
0.06
1017.55
023
124751
0.06
1439.77
1.00
786X9
0.07
1068.05
0.11
1371.16
0.54
145524
0.15
80351
0.15
1097.56
0.61
1381.54
0.13
147725
0.13
818.83
055
1139.01
0.08
1387.21
0.15
148420
0.10
85122
0.77
1149 J6
0.18
1389.44
0.15
154722
050
85928
025
1185.57
0.10
141821
0.07
1565.13
0.10
cm* 1
1580.40 0.40
1597.52 026
Mass Spectrum
50
abun
100
150 200
ntfz Ratio
250
300
350
400
450
500
61.05
73.05
74.05
85.00
92.10
98.00
0.12
0.17
0.27
0.11
0.17
0.19
Iflflr in—fl&UDL
109.05 0.34
110.05 025
122X5 0.10
127.05 0.36
128.05 023
128*5 0.10
Iffjl i»JillUDL
184.10
186.10
218j05
219.05
254.05
255.05
0.37
0.12
0.10
0.11
0.81
0.11
inftt iiikin
256.05 0.78
258.05 024
289.00 024
291.00 022
293.00 0.15
32355 0.63
m B&UD-
326.00 1.00
327.00 0.12
328.00 0.62
330.00 020
-------
IUPAC Congener No. 104
W^A^-PENTACHLOROBIPHENYL
CAS No. 56558-16-8
©
3500
4000
3000
2500
2000
1500
1000
WavenutTfcer, cm-1
fiBJ fife
653.07 0.07
721.31 0.13
72656 0.10
74021 0.16
77955 0.49
78534 0.63
mj atzs
80526 028
819.66 0.41
836X3 0.79
858.85 039
1003.64 0.05
107250 0.13
cm-1 at«
111750 023
115125 0.09
118456 0.16
119151 0.10
1201.44 0.13
1361.79 0.10
pm afas
1375.65 0.41
139036 0.16
1416.05 030
1436.19 150
148157 0.09
154832 0.62
fiUfcl B&S
1565SO 037
1579.42 0.76
158738 0.41
M ass Spectrum
50
an atom
6145 0.11
7355 0.14
7455 022
85.00 0.09
92.00 0.12
98.00 0.15
100
150 200
ntfz Ratio
an ftyn
109.05 028
110.05 020
122.05 0.09
127.05 028
128.05 026
145.00 0.08
250
"fr ahun
163.05 059
184.10 031
186.10 0.10
21855 058
21955 059
25455 0.64
300
350
400
450
500
W& fifeOL
25555
25655
25855
32355
326.00
32750
0.09
0.63
020
0.61
1.00
0.13
ifift abun
328.00 0.64
330.00 020
-------
6BSS2SS
o o o o o o o
fegssiSS
SsaSSSS
sslsSSS
o o o P P P P
ro ro a a «* •* «a
S53£fcSj3
wwooo wui
ooooooo
888&S&31S
khriibIi
Sissfeasa
ooooooo
sss^^ic^
Rel. Abundance
0.4 0.8
i i » i
I g
8
8
1
88888
o o o o -*
^S£58
-------
1
£
80 90 ro 20
Mwqinqyitu
o o o o
I®
® ® r *•
s
2 o o o *» o o
fSSS"1
o»r ou>« r
i38iS3§
CO 4Q
-------
IUPAC Congener Ho. 107
233M'^-PENTACHIjOROBIPHENYL
CAS No. 70424-68-9
Matrix-Isolated Infrared Spectrum
iii(j,iirjjj|j |-j | I
CI CI CI
ct
ci
(¦ i i j i » j > i i I t i i
2.
3000 2500
Wavenumber, em-1
I 1 1 1 I I
4000
i i i I I r
3500
1 I 1
2000
1500
1000
HTfcl,...
em-1 abs
cnv1
ate
fflhl
cm-1
67638
0.17
867.49
0.45
1101.68
0.15
129233
0.10
1480.01
130
70933
0.13
87439
030
1122.11
036
136838
0.68
154839
038
721.71
0.07
881.43
031
112938
033
1392.75
031
156433
0.19
73631
032
89537
04)5
1138.69
033
141530
033
157639
037
821.44
039
1036.14
0.67
1191.16
0.09
1427.70
039
83534
038
104433
038
1253.79
035
145431
0.05
a
©
Mass Spectrum
50
«bon
50.00 036
$14)5 037
73.05 O09
74.05 0.17
75.05 0.07
85.00 037
924)0 0.09
100
150 200
mfz Ratio
250
300
350
400
9830 0.11
99J00 0.07
109.05 0.21
110.05 0.14
126.95 0.20
12735 0.18
145.00 04)7
184.00 033
186.00 04)7
21735 04)9
21835 04)7
21935 04)6
2S4.05 0.47
255.05 0.07
25535 0.46
25635 0.06
25735 0.15
32335 0.62
325.00 0.08
326.00 1.00
32730 0.13
450
500
jq& aim.
328.00 0.64
329.00 038
330.00 030
-------
IUPAC Congener No. 108
2^3',4^'-PENTACHLOROBIPHENYL
CAS No. 70362-41-3
a ci a
a
Matrfx-teotafed fnfrawd Spectrum
i i t i \ i t i" | i i i i | i i i i j i i i i | i i i i | i
5.
12-
s.
1
I | 1 I I 1 | I I 1 I | 1 I 1 I J I
3000 2500 2000 1500
Wavenumber, cm-1
ULlM
i r | i
1000
4000
I I | i T
3500
em-1
em.1
em-1
cm-1 ]
abs
689.44
040
864.44
043
1124.18
046
1393.45
0.10
156748
0.73
731.11
047
88045
044
.116243
0.09
141747
044
159441
045
784.61
049
89044
0.14
118042
0.42
1427.18
0.72
161240
0.07
80649
1.00
107141
0.08
129344
047
146246
049
82246
0.17
1100.04
0.17
1347.76
048
1541*44
0.12
83543
0.08
1105.79
043
135748
047
154948
049
Mass Spectrum
50
100
150 200
mte Ratio
250
300
350
400
61.05 0.07
73.05 049
74.05 0.17
75.05 0.07
85.00 0-06
92.00 0.10
98.00 0.11
oft stem.
99.00 0.07
109.05 0.21
110.05 0.14
12745 0^1
127.95 040
12845 0.06
1454)0 048
«"* afa""
146.00 046
184.10 023
186.10 0.07
218.05 049
219.05 047
220.05 0.06
25445 042
ML BbUD.
0.08
041
0.06
0.16
0.63
0.08
1.00
25545
25645
25745
258.05
32345
32540
326.00
450
500
m ateoL
327.00 0.13
328.00 0.65
329.00 0.08
330.00 0.20
-------
Rel. Abundance
0.4 0.8
o e o o o o
| s ¦
3 ' r*
s
«4«iaa«AM 3
fSiilir .
oooopPJ 8
JoSae-p 3
S
mmf
ooo«*
Otetetooo
O © O C) 4C) O
^sssbjg
miuiF
sisfeSifta
o o o o o o
88sS3te8
M Ol
S88SS
o o o o •*
^ssjss
§
R«l. Absoitoance
0.4 0.6 OA
0.2
OL
O
-------
IUPAC Congener Na 110
23^\4\6-PENTACHLOROBIPHENYL
CAS No. 3838003-9
Ci CI
Matrfr-teoteted Infrared Spectrum
I
I i | II I I I | I
l l | J I l I "J
3500 3000
i i | i i i I |
2500 2000
Wavenumber, cm-1
cm-1 abs
676.43 0.13
726.30 0.21
74852 0.06
608.47 0.34
813X3 0.45
cm-1 aba
825.42 0.07
865.31 0.15
886.92 0.05
1037.38 0.45
105132 020
cm-1 ab«
1118.91 0.15
1135X8 0.36
1177.07 0.50
1370X7 0.19
1376.73 023
1387.18 0.22
143539 1X0
1481.23 037
155351 0.06
1560.87 0.09
at* afas.
50
nft flh/n
73.05 0.09
74.05 0.16
82.00 0X9
98.00 0.10
109X5 0.25
100
150 200
Rift Ratio
250
300
350
400
OH SbUZL
110X5 0.16
127X5 0.22
127X5 0.21
145X0 0.06
149X0 0.14
lift JttUIL
184.00 025
217X5 0.06
253X5 052
255X5 0.49
257X5 0.13
ID& atom.
323X5
326X0
327X0
328.00
330.00
0.63
1.00
0.10
0.62
0.17
450 500
mtr abun
-------
IUPAC Congener No. Ill
233'^^-PENTACHLOROBIPHENYL
CASNol 38635-32-0
Matrix-isolated Infrared Spectrum
'till | I 1 II \
Ct CI CI
CI CI
1 i i r
I I I | I
CI
1 I 111 I
TT
I I I I | III f J I I 1 >| I I II | I 1 ^lljll
4000
3500
3000 2500
Wavenumtoer, cm-1
2000
1500
sm-,1....
*he
cm-1
cm-1.
ate
OT:.l-
ate
652X8
0.06
864.70
0.43
1126.08
0.48
140456
0.78
678X7
027
1051X0
0X5
1135.67
0X8
1421.47
0.09
69253
0X4
1096X2
0X7
1190.44
0.05
1432.00
0.13
80951
0.62
1105.09
025
1377X0
0.67
1554X5
1.00
830X2
0.40
1120X6
021
1393X4
029
1568.10
0X5
1000
Bad ate ~
1577.61 057
Mass Spectrum
50
mft abun
61.05 0.07
73.05 0.10
74.05 0.18
75.05 0.07
85.00 0.07
9240 0.11
100
150 200
ntfz Ratio
abun
250
300
350
400
450
500
96X0 0.12
99X0 0.07
109.05 0.23
110X5 0.16
126X5 023
127X5 021
"ft abun
145X0 0.09
184X0 026
186X0 0.08
217X5 0.10
218X5 0.08
253X5 054
mft abun
254X5 0.06
255X5 054
257X5 0.17
323X5 0.63
325X0 0.08
326X0 1.00
jd& afasi
327X0 0.13
328.00 0.65
329.00 0.08
329X0 021
-------
RJPAC Congener No. 112
233^FENTACHL0R0B1PHENYL
CAS No. 74472-36-9
Matrtx-fsotated Infrared Spectrum
a
a
a
m
M
1 I 1 1 1 1 <
3000 2500 2000
Wavenumber, cm-1
1500
1000
cm-1
xte
cm-1
ate
cm-1
ate
cm-1
ate
em-1 abs
677X5
0.07
865X9
0.08
1165.09
0.44
1390X5
0.71
1551X5 0.19
708X5
0X7
870.18
0.13
1247.41
0.13
1408.72
0X3
1575.78 0.17
718X7
1.00
1063X0
0X9
1263.76
0.05
1426.15
0.17
745.07
0.09
1083X5
0.13
1347X2
0.12
1475.43
0.11
792X5
0.15
1097X2
0X1
1376.06
0.45
1487.08
0.11
MassSpectrum
50
WtZ «bun
50.00 04)7
61X5 04)7
73.05 04)8
74.05 0.12
75.05 04)8
92.00 0.11
984)0 0.10
100
150 200
mft Ratio
250
300
350
400
450
500
mH abun
108.00
109.05
110.05
12655
127:95
144.00
145.00
0.06
0.18
0.14
0X0
0.18
0.07
0.10
146.00 0X7
1494)0 0.07
1844)0 025
186.00 0X8
217X5 0.09
218X5 0X7
219X5 0X6
nft flbwn
254X5
254X5
255X5
256X5
257X5
323X5
325X0
0X4
0.08
0X4
0.07
0.17
0.63
0.08
mtz afaun
326.00 1.00
327.00 0.13
328.00 0.64
329.00 0.08
330.00 0X1
-------
IUPAC Congener No. 113
233',5\6-FENTACHLOROBIPHENYL
CAS No. 68194-10-5
Matrtx-tsolated infrared Spectrum
A, 1
| J I i—i ]—i—i—i i—|-
3000 2500 2000
Wavenumber, cm-1
em-1 abs
cm-1
abs
em-1
cm-1
677.78
0.14
831.46
0.09
1102X8
022
1377X4
0.70
701X6
0.66
83528
0.09
111729
0.31
1391X1
022
741.63
0.06
86424
0X7
1127X9
0.06
1413X4
0X5
803.43
0.65
1066.14
0X5
117829
0.77
1428X1
0.60
81428
0X8
1072.15
0X5
1190X9
0.08
1456X2
0X2
£Qhl afcs.
1556.18 0.17
156841 1.00
Mass Spectrum
50
mft abun"
73.05 0.11
74.05 0.17
85.00 0.08
92.00 0.10
98.00 0.13
109.05 0.23
100
150 200
m/z Ratio
abun
110.05 0.16
126.95 021
127X5 0.19
145.00 0.08
184.00 0.25
186.00 0.07
250
m a&un.
21755 0.08
218X5 0.08
253.95 0.60
254X5 0.08
255X5 0.55
256J5 0.07
300
350
400
450
500
ntfz abun
257X5
32355
325.00
326X0
327X0
328X0
0.18
0.65
0.08
1.00
0.13
0.65
tnfz abun
328X0 0.08
329X0 0.21
-------
JUPAC Congener No. 114
Z3,4.4'^-PENTAC3ILOROBIPHENYL
CAS No. 74472-37-0
Matrtx-tsdated infrared Spectrum
Ju
4000
3500
3000
2500
8000
1500
1000
Wavenumber. cm-1
em-1
652.10 0.11
738.40 0£7
819J4 0.38
82350 0.37
836.36 0.16
873S4 0.05
cm-1 abs
685.01 0.08
1018.41 0.43
1067.04 0.10
1085JO 0.11
109334 0.41
1107.45 0.17
112232 0.11
1182.49 0.19
1195.66 0.08
1263.66 0.09
1273.92 0.14
1282.73 0.15
cm-1 abs
1346.69 0.68
1400.62 0.36
1413.88 1.00
143232 0.08
1496.35 0.72
1525.78 0.11
1591.37 0.12
Mass Spectrum
50
lift BllWl ¦
100
150 200
Ratio
250
300
350
400
50.00
51.00
61.05
73.05
74.05
75.05
85.00
0X9
0.06
0.07
0X9
0.12
0.10
0X6
ffltt flfaBL
92X0
98X0
108X0
109.05
110.05
126X5
127X5
0.10
0.10
0.06
0.17
0.13
0.19
0.18
145X0 0.08
149X0 0X7
184.00 025
186.00 0.08
217X5 0.09
218X5 0.07
219X5 0X6
aba.
254X5 0.48
255X5 0.07
255X5 0.48
256X5 0.06
257X5 0.15
323X5 0.64
325.00 0.08
450
500
mtt Sbvn
326.00
327.00
328.00
329.00
330.00
1.00
0.13
0.66
0X8
0.21
-------
IUPAC Congener No. 115
23f4,4',6-PENTACHIX)ROBIPHENYL
CAS No. 74472-38-1
Matrtx-lsolated Infrared Soectnim
CI CI
I 1 I 1 | 1 I II | < I 1 1 j I I i i } I i I 1 | I 11 I I | * I I
15
r i i i j i i i i } i i i i j i i i i | i i i i |
4000 3500 3000 2500 2000 1500
Wavenumber, cm-1
JLd
IuJUl
cttvi ate
657.71 0.32
725.01 0.09
747.02 0.78
81454 0.21
B2156 0.60
83353 0.14
""•I ab«
867.14 0.13
871.82 0.10
1017S9 051
104555 0.13
1090.83 0.19
1097.63 0.61
gm-1 a&s
1136.18 025
1181.09 0.14
1256£1 0.08
1260.33 0.08
134259 14)0
135651 04)6
sntl ate
1399.13 0.08
140457 0.06
141954 0.78
1427.45 057
149758 0.27
1532.74 0.18
"TV1 afas
156454 022
1574.42 0.13
160243 020
Mass Spectrum
50
mfr abun
50.10 0.07
61.05 0.07
73.05 04)8
74.05 0.12
75.05 0.08
92.00 0.10
98.00 0.10
100
ISO 200
ma Ratio
250
300
350
400
ynte abun
109.05 0.18
110.05 0.14
127.05 020
12755 0.18
144.00 0.06
145.00 0.09
1464)0 0.06
149.10 0.07
184.10 025
186.10 0.08
2184)5 04)8
219.05 0.07
254.05 052
2554)5 0.08
a*""
256.05 051
2574)5 0.07
2564)5 0.16
32355 0.66
32550 0.09
3264)0 1.00
327.00 0.13
450
500
328.00 0.67
329.00 0.08
330.00 022
-------
838S228B
&888&S8
o o e o o o o
a 8
a& «A «A «A «A ril' «l 1
j*£2gggs*
8§fefe£fcs?
ooepee els' 8
1* •* o 1* •* •* «*
-» o 5 » - w
nnK ii -* -«B
««$£&&£*
saas§g§
§§§§g§§g
mimiiP
S&fe&Sj&fe
o o o o o o o
88S$iSfeiB
W^l Aluy^luuA
I I Uf« MMIThHIVIOO
0.4 0.8
Rel Abeeibance
0.2 0.4 0.0 0.8
8888S
O O O O -»
&88C8
S2§§|
fe&lcss
oo^ol
Sfe8s'
llggl
ooPP
mm mm mm mm ¦
8138
tfeatsl
ooool
UUbki'
UMOl>>
iiiil
bbiii
o o o o
kfcgfc
* » u|
to K or
OMOI
3 St
o o o
ssl:
-------
IUFAC Congener No. 117
23,4'^,6-PENTACHLOROBIPHENYL
CAS No. 68194-11-6
Matrix-isolated Infrared Spectrum
lltll I I i fi | -
CI a
a
I 11 1 1 1
Ci ci
l I I J i I I I I 1 1 1 1 J l 1 I
5«
M
l
u
LJ
i.. JL
I I I I | t I I I j II I I | I 111 | I II I | I I t T | 111
4000 3500 3000 2500 2000 1500 1000
Wavenumber, cm-1
cm-1
.Bte
cm-1
ate
cm-1
ate
cm-1
ate
cm-1
ate
655.72
0.05
- 74157
0.06
1095.54
0.66
1249.44
0.46
1550.08
0.15
663.69
04)7
827.34
0.39
1104J2
0.05
1345.14
0.11
159124
0.15
668.66
0.05
83231
029
11374)8
0.10
138522
0.78
160222
0.15
677.78
0.71
869.77
0.12
115228
0.05
1407.14
022
704.64
04)6
101827
028
116421
023
1425.91
0.06
735.39
0.63
1059.12
023
117928
04)7
1495.65
1.00
Mass Spectrum
•*-r
t I A ,k *, I ,
t— I
SO
50.00 0.08
614)5 0.07
73.05 0.09
74.05 0.13
75.05 0.08
92.00 0.11
100
WZ-
150 200
m/z Ratio
abun
98.00 0.11
109.05 0.18
1104)5 0.14
1274)5 0.19
12725 0.17
145.00 0.09
250
ma fitaun.
149.00 0.07
1844)0 026
1884)0 04)8
2184)5 0.08
218.95 0.07
2544)5 025
300
350
400
WtL «bun
255.05 0.08
2S6.05 051
25725 0.17
323.95 0.83
325.00 0.08
3264X) 1.00
450
500
atz abuo.
327.00 0.13
328.00 0.63
329.00 0.08
330.00 021
-------
IUPAC Congener No. 118
23t.4,4^-PENTACHLOROBIPHENYL
CAS No. 31508-00-6
Matrfe-botated Infrared Spectrum
• i i i I i 1 II | I
i I r
j-t
i I i I r
11 1 I I I | I I I
i j t i | i i i i | i I J i| J i i i | i i r
4000 3500 3000 2500 2000
Wavenumber, cnvl
1500
1000
SBlL—
678.31 0.11
78838 0.06
824.73 0.12
cm-1 flt?s
885.19 0.11
892.42 0.08
103725 0.15
1051.02 022
109431 0.24
1142.45 023
1337.91 0.08
1345.93 0.13
1455.18 1.00
cm-1 abs
Mass Spectrum
50
mlit jIml
734)5 0.08
7445 0.14
85.00 0.06
92.00 0.08
98.00 0.10
10945 0.19
100
150 200
mtt Ratio
WtL Bbffl.
110.05 0.13
12645 0.19
127.95 0.18
184.00 020
186.00 0.07
21745 0.09
250
21845 0.07
21945 0.06
254.05 0.43
255.05 0.07
255.95 0.43
25745 0.14
300
350
400
450
500
U& atuo.
32335 0.62
32540 0.08
32640 1.00
32740 0.13
32840 0.65
32940 0.08
"V? abun
330.00 021
-------
IUPAC Congener No. 119
^'/^'^-PENTACHLOROBIPHENYL
CAS No. 56558-17-9
Matrbc-fsolated Infrared Soectrum
» I I I J I I ri | l i 1
| I I I 1 | jl I 1 I J
t*
4000
T -m-rr
3000 2500
Wavenumber, cm-1
em-1 abs
cm-1
cm-1
cm-1 i
Btff
em-1
677X3
0.32
853.41
0.70
1134.55
026
1382.04
0.12
153053
0.06
711X8
0.07
861.01
0.42
1144.01
029
139157
0.15
154458
039
73856
0.13
886.75
0.05
118627
0.15
143058
1.00
1558.15
026
79022
0.42
102627
0.12
1246.66
0.13
1447.12
0.63
157924
023
80258
0.44
103656
0.49
1280.45
0.07
147655
0.11
81551
0.42
109720
025
1368.15
054
1485.01
0.09
Mass Spectrum
50
mft abun
61X5 0X6
73.05 0.08
74.05 0.14
85.00 0-06
92.00 0.08
98.00 0.09
99.00 0.05
100
150 200
mfz Ratio
250
300
350
400
450
500
ma abuiL
109.05
110.05
126.95
127.95
145.00
146.00
147.00
0.17
0.12
0.17
0.15
0.06
0.05
0.05
mn too.
184.00 0.19
18&00 0X6
21755 0.08
21855 0.06
21955 0X6
25355 0.46
25455 0.07
mtt afaun
25555 0.45
25655 0.06
25755 0.14
32355 0.62
325.00 0X6
326X0 1X0
327X0 0.13
«"* abun
328X0 0.64
32850 0.08
32950 020
-------
IUPAC Congener No. 120
23'»W-FENTACBlJOROBIPHENYL
CAS No. 68194-12-7
Matrfx-lsofated Infrared Soeefnim
i i i i ii i ri i i
I i 1 i i I i i i i ; i i i i |i i i i i I i i
sj
4000
3500
3000 2500
Wavenumber, cm-1
2000
I 1 I I | I I I P \ > I I 1 | I I I I { I lml
1500
1000
em-1
¦bs
em-1
Bt!S
cm-1
sbs
670.10
0.05
864.03
0X6
1099X1
0X9
1339.40
0.44
693.14
0X7
870X3
0X9
1108X3
0X7
1392X4
0.17
765.42
0.06
880X8
0.14
1125.64
0.06
1417.11
0.47
808X7
0.63
897X4
0.17
1143X0
0X0
1430X8
0X1
833.75
0.05
907.76
0X4
1149X2
0X0
1470X1
1.00
836X5
0.05
1065X3
0.42
1271X5
0.06
1540X5
0.13
JSUdBajttti
1565X9 0.89
Mass Soectwm
t 1 .ii, * ...i.
m.
61X5
73X5
74X5
75.05
85X0
92X0
98X0
50
abun
0X6
0X9
0.16
aoe
0.06
0X9
0.11
100
150 200
mfz Ratio
lift atom.
99X0 0.06
109X5 0.20
110.05 0.13
126X5 0.20
127X5 0.18
145.00 0.07
184.00 022
250
300
Oft atBZEL
186.00 0X7
217X5 OX9
218X5 0X7
219X5 0X6
253X5 0.48
254X5 0X7
255X5 0.47
350
400
nft abun.
256X5
257X5
323X5
325.00
326X0
327X0
328.00
0.06
0.15
0.63
0.08
1.00
0.13
0.65
450
500
lift afrvn
329.00 0.08
329X0 0.21
-------
IUPAC Congener No. 121
W^'^-PENTACHLOROBIPHENYL
CAS No. 56558-18-0
Matrix-Isolated Infrared Soectrum
I I > 1 I |i l fl I I
CI Ci
CI Ci
I i
CI
I I 1 I I I I I I I I
t » r
N
1 J J I { i 1 i
4000 3500
i | I 1 I I j I 1 J J | I
M00 2500 2000
Wavenutnber, cm-1
ki
I | IT
1500
em-1
sm-1
em-1
ate
em-1
tits.
69246
040
854.71
140
125045
0.07
1415.65
0.70
73340
0.16
862.76
0.49
1265.77
0.05
1463.05
044
80143
044
110044
041
127341
0.08
1468.61
0.13
810.48
0.41
112347
0.05
1366.95
0.09
1547.10
042
81843
043
1148.74
042
1372.47
041
156446
0.73
83348
0.06
1185.45
0.14
1390.67
0.18
1580.44
0.41
fflhS ate
159&09 048
Mass Spectrum
50
102 ataZL
73.05 0.09
74.05 0.15
85.00 0.06
92.00 0.09
98.00 0.11
109.05 040
100
150 200
rn^z Ratio
250
300
350
400
eh afeun
110.05 0.14
12745 0.19
12745 0.18
14540 0.07
184.10 0.22
188.10 0.06
BSH afaffi-
218.05 0.08
21945 047
254.05 054
25545 048
256.05 051
25745 046
mei aba.
258.05
32345
325.00
328.00
327.00
32840
0.16
0.64
0.08
1.00
0.13
0.63
450
500
abun
329.00 0.08
330.00 0.20
-------
IUPAC Congener No. 122
2'33%4^-PEHTACHLOROBIPHENYL
CAS No. 76842-07-4
CI a CI
Matrtx-fsofated Infrared Spectrum
' I l l I | l 1 1 I | I I I I | I I
| I 1 I I | II I I 1 | I I I
i i
12
®!
I I I I | I I
4000 3500
IJLl
11111111111111111111
3000 2500 2000 1500
Wavenumber, cm-1
U)
J 1 ^
cm-1
ate
em-1
jbs
SZb! i
Bt&
71047
020
875.66
020
1126.64
045
141828
0.45
72240
0.10
88447
0.06
1164.72
041
143044
1.00
751.11
021
1042.10
0.13
1199.78
0.18
1544.65
044
78542
046
105042
024
129724
0.06
156649
0.05
81725
047
1080.11
0.10
1370.42
0.47
1582.15
0.11
1 I I I
1000
em-1 abs
1590.82 020
MassSpectnjm
SO
B3H afe&L
61.05 049
73.05 0.12
74.05 0.22
75.05 0.09
83.95 0.09
85.00 0.08
100
150 200
mte Ratio
wte abut?
86.00 0.08
9240 0.12
9840 0.14
99.00 0.10
109.05 028
110.05 0.19
250
mo aba.
12245 0.08
127^5 028
128.05 025
14540 049
184.10 031
18640 0.10
300
350
400
m Bt2U2L
21845 0.11
21945 049
254.05 0.60
25545 0.09
25645 049
258.05 0.18
450
500
nft flbun
32345
326.00
327.00
328.00
330.00
0.64
1.00
0.13
0.65
021
-------
IUPAC Congener No. 123
2'3.4,4',5-PENTACHLOROBIPHENYL
CAS No. 65510-44-3
Matrix-Isolated Infrared Spectrum
«!
o
3500
3000
1500
2500
2000
4000
1000
Wavenumber, em-1
em-1
em-1
em-1 i
abg
em-1 i
lbs
em-1
Bbs
77840
048
87340
0.09
1110.74
045
129441
0.09
148247
048
81043
0.45
880.18
0.09
1143.40
047
1365.70
042
1542.12
042
82647
0.08
104341
0.10
116344
0.19
1391.17
0.06
156242
0.15
85849
0.18
109242
049
1202.92
0.09
143146
1.00
Mass Spectrum
* * * ( • *
L „ I
" " " I • *
" * ¦ 1 " '
' ' " * ' • " "
41
m
m
61.05
73.05
7345
754)5
83.95
85.00
86.00
50
abun
0.06
0.08
0.14
045
04)5
0.05
0.05
100
150 200
mft Ratio
250
300
350
400
450
500
att abuou
9240 0.08
984)0 049
994)0 0.06
1094)5 0.17
110.05 0.12
126.95 0.18
127.95 0.17
OH abun
12895 0.05
1454)0 0.06
1834)0 04)5
1844)0 0.21
188.00 0.07
217.95 0.08
21845 0.07
21945 0.06
25345 0.48
25445 0.07
25545 0.46
25645 0.06
25745 0.15
32345 0.62
32440 0.08
325.90 1.00
32640 0.13
32740 0.63
328.90 0.08
32940 041
-------
HTPAP Crmofn^r Ka 11A
CI
CI
Matrix-Isolated fnfrared Spectrum
ll l l" I I I i —
I
9500
3000
1500
1000
4000
2500
Wivenumber, cm-1
2000
cm-1
Jfes.
cm-1
em-1
cm-1
cm-1
659.48
0.06
827.53
0.09
1102X9
0.60
1367X5
0X5
1526.77
0X8
665X8
0.12
830X3
0.09
1137X5
0.10
1392X8
0X4
1544.10
0X4
673X5
0.06
873X8
0.41
1164X4
0X5
1400.07
0X4
1565.19
0.05
704.75
0.19
864X2
0.13
1202.77
0.17
1433X1
1.00
1584.62
0X6
814.34
0.67
1044X2
0J7
1245.03
0.17
1472.75
0X6
1590.77
0X4
817J59
0.70
1073.04
0X5
1259X8
0.05
1477.06
0X6
MassSoectrum
50
utt afeoL
61X5 0X7
73X5 0.09
74X5 0.17
75X5 0.07
83X5 0X6
85.00 0X6
86.00 0X6
100
150 200
nV* Ratio
250
300
350
400
mfr ahun
92X0 0.09
98X0 0.11
99X0 0X6
109.05 0.20
110.05 0.14
126X5 0.20
127X5 0.19
mn &hl
145.00 0X6
184.00 023
186X0 0X7
217X5 0.09
218X5 0X6
219X5 0X6
253.95 0X0
mfr a*""
254X5 0.07
255X5 0.48
256X5 0.06
257X5 0.16
323X5 0.64
325X0 0.08
326X0 1.00
450
500
IS& BbUIL
327.00 0.13
327X0 0.65
328X0 0.08
329X0 0X1
-------
IUPAC Congener No. 125
2'3,4^,6'-PENTACHLOROBIPHENYL
CAS No. 74472-39-2
Matrix-Isolated Infrared Spectrum
M
e
3500
4000
3000
1500
2500
2000
1000
Wsvenumber, cm-1
envl
cm-1
cm-1
cm-1
cm-1
650.16
0.05
81758
0.68
1155.17
0.07
137725
055
156420
0.47
704.65
0.08
87727
0.11
1182.77
056
1401.75
0.09
1591.18
020
73450
0.41
1040.38
0.09
1197.75
052
1419.75
1.00
159556
0.19
78128
0.41
105153
0.11
125155
0.07
1434.62
0.79
790.08
052
1088.76
0.14
1278.15
0.17
154722
055
Mass Spectrum
50
abun
61.05 057
7355 0.09
74.05 0.15
75.05 0.06
9250 OM
98.00 0.10
99.00 057
100
150 200
mft Ratio
250
300
350
400
abun
109.05 020
110.05 0.15
122.05 0.06
126.95 021
12755 0.19
12855 0.06
145.00 0.07
afaun
183.00 0.06
18450 023
186.00 0.07
217.95 0.09
219.05 0.07
21935 0.06
25455 054
"bun
25435
25555
25655
25755
32355
32550
32650
0.08
0.52
0.07
0.17
0.62
0.08
1.00
450
500
nft atjun.
327.00 0.13
328.00 0.63
329.00 0.08
330.00 020
-------
IUPAC Congener No. 126
33\4,4'^-PENTACHLOROBIFHENYL
CASNa 57465-28-8
Matrix-Isolated Infrared SDectrum
I l I I | II I l | I I I
| I I I I | I I I i | II I I I | I j I
lJjJ
i i j rm | i i i i | i i i
3000 2500 2000
Wavenumber, cm-1
em-1
J&S.
CfThl.
fi&S
cm-1
abs
em-1
ate
cm-1 abs
668X7
0.05
871.08
0.14
1144.68
0X8
1296.69
0.05
1540X5 0X0
880X5
0.14
1033X3
0X8
1152.76
0.10
1359.17
0X3
1589X9 0.14
753.17
0.10
1043X4
0X5
1165X4
0.11
1404.60
0.06
811X5
0.42
1080X5
0X5
1205.69
0.06
1432.63
1.00
824.11
0.10
1135.19
0X2
1256X6
0.05
1485X2
0.17
Mass Spectrum
100
150 200
nVz Ratio
mfz abun
50X0 0.07
61.05 0X8
73X5 0.11
74X5 021
75X5 0.08
83X5 0.08
85.00 0X8
Fntt Bbtfr?
BbuiL
86.00
82X0
98X0
99X0
109.05
110.05
127.05
0.08
0.11
0.13
0.10
0.24
0.17
0.24
127X5
128X5
145.00
184X0
188X0
217X5
218X5
0.22
0.07
0.08
0X7
0.08
0.10
0.09
nvt ifl&yn
219X5 0.08
253X5 0X0
254X5 0.07
255X5 0.47
257X5 0.15
323X5 0.66
325X0 0.08
IQ2 Bbffl.
326.00 1.00
327.00 0.12
328.00 0.64
329.00 0.08
moo 0X1
-------
IUPAC Congener No. 127
33%W-PENTAC3njOROBIPHENYL
CAS No. 39635-33-1
Matrix-Isolated Infrared Spectrum
j j- i |r | j |
is-
N
i I r
| I I I
w« Vi
| I I I k ( I I I
=4^
I | I I I I | II I 1 j Mnl I fl'T'lTp'lT
3000 2500 2000 1500 1000
Wavanumber, em-1
i 1 I t | I 1
4000 3500
tffrl flte
66923 0.05
67459 0.05
688.36 0.08
71624 0.06
806.11 0.85
cro-1 ate.
86024 0.33
1041.83 0.11
1090.81 0.05
110123 0.12
113053 0.17
1165.64 027
1201.01 0.07
1258.37 0.05
1366.08 0.33
139923 0.08
vJi^-1 ftbs
1416.16 0.41
1420.88 0.76
1545.83 1.00
1569.07 0.19
1573.89 0.31
iumLJiii
Mass Spectrum
50
734)5 0.08
744)5 0.16
75.05 0.06
924)0 0.09
984)0 0.10
99.00 0.07
100
150 200
mft Ratio
an fltoa.
109X5 020
110.05 0.13
126.95 020
127.85 0.18
145.00 0.07
184.00 020
250
JD&L»lbCL
186.00 0.07
21755 0.08
21835 0.07
21935 0.06
254.05 0.43
2554)5 0X6
300
350
400
mft atvp
2564)5 0.42
25735 0.13
32335 0.64
325.00 0.09
326.00 1.00
3274)0 0.13
450
500
PI* flbun
328.00 0X5
329.00 0.08
330.00 021
-------
IUFAC Congener Na 128
2a\33M,4'-HEXACHLOROBIFHENYL
CAS No. 38380-07-3
ci a
Mairfe'teotaled Infrared Spectrum
| 1 1 » I ] I 1 ) 1 j I I 1 I | I 1 l I | I > I
Jl
4000
i i I J I i I I | i i i i |
3000 2500 2000
Wavenumber, em>l
1000
758.04 0.10
79651 0.38
817,42 0.19
fi&i abs.
82557 0.10
885X1 0.12
1114.09 0X5
wirl jttt
1164.62 0.08
1184X8 0.42
1355X9 0.21
137224 0.11
1434.42 1.00
1576.80 0.05
fimd Bfe&
«? .
Mass Spectrum
50
100
150 200
mft Ratio
250
300
350
400
450
500
UStL
afaun
73X5 0.19
74X5
8355
85.00
98.00
108X0
109X5
0.20
0.15
0.12
0.17
0.16
0.42
oft afaffl.
110X5 025
126.05 0.19
127X5 0.18
144X0 0.43
145X0 0.54
146.00 0X3
147.00 0.14
J0ft afeuiL
179X5 0.11
181X0 0.12
182X0 0.13
183X0 0.11
217X5 0.42
219X5 0.27
288X0 0.70
ttifi abun
290X0 0X1
291X0 0.10
292X0 0.42
322X5 0X0
325X0 0X2
327X0 0X1
357X5 0 49
mft abun
359X5 1X0
360X5 0.12
361X5 0.76
363X5 0X0
-------
IUPAC Congener Na 129
2£\33\4^HEXACHLOROBIFHENYL
CAS No. 55215-18-4
Matrix-isolated Infrared Soectrum
II I 11 II J I I I I
a ci a a
¦^b
CI
I I I I I 1 I
i I I I 1 J 1 I j
i i i r
CM
Jl
LLiJ
4000
I i i i t I i i i i I i i i i I r i i i I i i i
3000 2500
Wavenumber, cm-1
2000
1500
1000
abs
sm-1 ,
Abs
cm-1
cm-1
cm-1 abs
72257
0.08
88039
0.12
1144.43
0.07
129330
0.10
1566.08 0.13
735.55
0.35
90154
0.17
115728
0.05
1348.31
056
1597.86 04)7
76124
021
105126
0.18
1162.07
0.06
1410.46
1.00
78857
0.34
1075J1
0.13
1181.69
020
1420.07
0.41
838.16
021
1109.05
04)7
119928
0.07
1533.97
0.10
Mass Spectrum
150 200
irtz Ratio
102 fifcua.
61.05 0.11
73.05 0.19
74.05 0.16
85.00 0.12
98.00 0.16
108.00 0.15
109.05 0.38
m* afaun
110.05 026
122.05 0.11
126.05 0.19
127.05 0.19
144.00 OJO
145.00 0.60
146.00 0.34
147JO 0.14
179:95 0.12
181.00 0.12
1824)0 0.13
1834)0 0.13
218.05 0.46
2204)5 029
lift Jbufl.
2884)0 0.78
2904)0 14X)
2914)0 0.12
29? 00 0.49
322.95 0.29
3254)0 0.48
3274)0 0.28
500
mfz abun
35755 053
359.95 039
360.95 0.12
361.95 0.83
363-95 0.34
-------
CI
Matrix-Isolated Infrared Spectrum
t
o
3500
4000
3000
2500
1500
2000
1000
Wavenutnber, cm-1
cm-1
ate
cm-1
ate
cm-1
em-1
BtTif
cm-1
718X3
0.10
881.43
0.15
1126.71
0X5
1291X3
0.08
1446X3
0.13
739X8
0.18
892X9
0X1
1162.40
0.10
1361X8
0.46
1460X7
0.46
787X4
0X0
1044.43
0.17
1181X4
0X9
1367X1
0X6
1545X6
0.09
818.07
0X1
1049X0
0.13
1193.12
0.16
1390.43
0.49
1557X5
0X7
838X0
0X1
1109X9
0X2
1245X8
0.05
1412X0
1X0
1573X4
0.13
868X0
0X5
1121X1
0A6
1251X9
0.05
1428.48
0X5
Mass Spectrum
50
ntfz iilv in
61.05 0.12
73X5 0.21
74X5 023
83X5 0.14
85X0 0.12
98X0 0.18
108X0 0.16
100
150 200
mfe Ratio
250
300
350
400
450
500
abun
109.05 0.40
110.05 025
122.05 0.11
128.05 0.19
126X5 0.19
144X0 0.42
145.00 0.52
146X0
147X0
179X5
181X0
182X0
183.10
218.05
0X3
0.15
0.12
0.13
0.15
0.12
0.43
twtt abun
220X5 027
288.00 0.75
290.00 0.98
291X0 0.12
292X0 0.46
322X5 0X0
325X0 0.47
ate"
327.00 0X1
357X5 0X2
359X5 1.00
360X5 0.13
361X5 0X1
363X5 0X4
-------
IUPAC Congener No. 131
Z2\33\4^HEXAOiLOROBIPHENYL
CAS Ha 61798-70-7
Matrix-Isolated Infrared Spectrum
t i i I | I l II | I
a ci a a
-rf-b
N
4000
• 1 I
3500
i i r
T
i r
| I I I I | ¦ I I I | I I I
i r
T
3000 2500
Wavtnumber, cm-1
I i i | r
2000
T
1500
I I I \ I
1000
IL
PTfcJ .
cm-1
ate
cm-1
fitZS
cm-1
afc
650.76
0.09
825.30
0.33
1116.74
0.09
119923
0.09
142526
024
726.87
021
865.08
0.16
1146.65
0.13
126928
0.06
1535.17
022
740.06
0.47
894.11
026
115725
020
1345.94
028
1568.14
0.43
77537
0.08
1047.49
025
116521
0.05
1366.92
0.06
159126
021
78854
0.45
106359
0.14
118021
029
141226
1.00
Mass Spectrum
50
fnfr abun
61.05 0.11
73.05 0.17
74.05 0.15
85.00 0.11
98.00 0.13
108j00 0.14
109.05 0.31
100
150 200
mte Ratio
250
300
350
400
mft, i.
110.05 021
122.05 0.10
126.05 0.15
12625 0.15
144.00 0.35
145.00 0.43
146.00 025
intt abun
147X10 0.12
17925 0.11
181.00 0.11
182jOO 0.11
183.10 0.11
218.05 0.39
220.05 024
Ttifz abun
288.00
290.00
291:00
29220
32235
325AO
327X0
0.68
0.87
0.11
0.41
028
0.46
029
450
500
35755 0.52
359.95 1.00
36055 0.13
361.95 0.78
36345 054
-------
IUPAC Congener No. 132
23*33 %4^-HEXACHLOROBIPHENYL
CAS No. 38380-05-1
Matrix-Isotated Infrared Spectrum
3500
4000
3000
2500
1500
1000
2000
Wavenumber, cm-1
em-1
abs
cm-1
em-1
cm-1
65323
045
811.68
0.46
1181.11
0.60
1445.78
0.05
719.18
0.07
87547
026
136542
041
146546
0.11
75030
0.09
105443
0.13
1386.08
028
155848
0.05
78641
022
1100.45
0.17
1431.76
140
1590.73
0.10
Mass Spectrum
SO
61.05 0.10
73.05 0.18
74.05 0.18
8345 0.10
85.00 0.10
98.00 0.14
108.00 0.13
100
150 200
mte Ratio
«nft • ahtin
109.05
110.05
12645
126.95
144.00
14540
148.00
042
021
0.15
0.16
046
0.45
027
250
mfz gfaun
147.00 0.12
179.95 0.11
18140 0.12
182.00 0.13
18340 0.11
218J05 0.37
220.05 023
300
350
400
afaon
288.00 0.68
290.00 0.84
29140 0.11
29240 0.41
322.95 027
32540 0.44
32740 028
450
500
35745 053
359.95 140
36045 0.13
36145 0.79
362.95 0.10
36345 044
-------
IUPAC Congener No. 133
2^\33'.5,5 '-HEXACHLOROBIPHENYL
CASNa 35694-04-3
Matrix-Isolated Infrared Spectrum
a ct ci
r i j i t i i | i i i i j i i i ii j i i t i | i i i
• I i » I i i
5.
¦ i « i i i I i • < i I i I
3000 2500 2000
Wavenumber, cm-1
I"J | 1 I I f J I
j
4000
I I I | 1 t
3500
i i
1500
1000
em-1
rts
em-1
em-1
em-1
8t$
68543
041
1041.11
049
1146.78
0.15
1400.18
0.42
723.12
0.13
1064.19
046
1194.61
0.12
1412.67
041
73049
0.08
110843
049
125542
0.06
143149
024
835.18
0.85
112545
049
1376.16
0.79
143949
0.11
869.04
0.68
1138.78
044
1389.02
048
1557*0
140
1571.12 046
1581.42 0.09
MassSpectruw
50
73.05 0.16
7445 0.19
8345 0.10
98.00 0.15
108.00 0.12
109.05 0.36
110.05 022
100
150 200
m/zRatto
.250
300
350
400
450
500
m b&sl
122.05 0.10
126.05 0.17
12645 0.16
144.00 0.40
145.00 0.49
146.00 0.30
147.00 0.12
m aim.
179.95 0.11
181.00 0.11
18240 0.14
183.00 0.10
21745 0-41
21945 025
28740 047
m aba.
28940
29040
29140
32245
325.00
32640
35745
047
0.10
0.41
0.31
040
0.31
0.53
35945 1.00
36045 0.12
36145 0.79
36345 0-34
-------
ssgsasa^
fefegS888
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ki I*
g2uMO»W
mm mm mm mm mm mm mm
aaftfctSK
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icufcffifefei: a
88MSI
is is Is is is
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8
s
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R«f. Abundance
0.4 0.8
i" i i i
' » * *
-¦ - f
Is is is is 6
B-IOOO I
ami
OooPPT
fc&feSRr
«* «* mm ^ ^
ieteaefe
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•&«•¦!«» «*|n
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388&S
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£
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e
Rei AbKHtMno*
0.4 0.0 0.0
85 §
S Z fc o
Fr
I-
-------
IUPAC Congener No. 135
2J\33\5^HEXACHLOROBIPHENYL
CAS No. 52744-13-5
Matrix-Isolated Infrared Soectrum
i i—r~i—|—i—i n j—r i i i ]—i—tt
u
u
I I I
I" j I 1 1 1 I 1 I 1 \ I
3000 2500 2000
Wtvenumber, cm-1
f
lit I | I I J
4000 3500
CTTV1
em-1
As
dfcl—
686.01
022
1043.65
1.00
1192.14
0.13
1431.07
0.42
729.68
0.31
109048
0.67
1244.16
045
1453.46
0.61
812.30
0.84
111447
020
136943
040
1560.42
042
83547
049
11284)2
0.61
1398.14
0.69
1586.44
021
868.41
0.43
11814)5
041
141723
044
158941
021
Mass spectrum
SO
"fr ¦fa""
73.05 0.18
74.05 020
854)0 0.11
88.00 0.15
108.00 0.13
109.05 0.34
110.05 022
100
150 200
mfz Ratio
mtl fi&UL
1224)5 0.11
1264)5 0.17
126.95 0.17
144.00 0.39
145.00 0.48
146.00 0.30
147.00 0.13
250
£& Sbffl.
17945 0.13
1814)0 0.13
1824)0 0.14
183.00 0.11
218.05 0.38
220.05 024
288.00 0.67
300
350
400
450
500
tuft _jtncL
290.00 0.84
291.00 0.11
292X0 0.41
32245 0.30
3254)0 0.48
3274)0 0.30
357.95 054
359.95 1.00
360.95 0.13
36145 0.78
36345 044
-------
IUPAC Congener No. 136
2^\33'A6'-HEXAOTLOROBIFHENYL
CAS No. 38411-22*2
ci ci a a
Matrtx-fsolaJed Infrared Soectrum
1111 j I l N | i
| 1 1 I I | I I
ci a
i \ i i i i i i i i i \ i i i
t i j I i i i | i r
3500
r 1 T
3000 2500
Wavenumber, cm-1
cm-1
abs
cm-1
cm-1
cm-1
687.00
0.16
0.41
1128X9
0.06
1407X4
0.47
754X4
0.05
1049.26
0X5
1147X9
0.06
1430.41
0X5
802X3
0X1
1060X7
0X6
1179X8
1.00
1462X6
0X3
813.48
0X6
111575
0X5
1362X4
0.41
1560X1
0.10
{jfn*i _s&s.
Mass Spectrum
50
61X5 0.11
73X5 0.21
74.05 020
85.00 0.12
98.00 0.15
108X0 0.13
109X5 0.36
100
150 200
nitt Ratio
250
300
350
400
450
500
m tbsL
110X5 0.23
122.05 0.12
126.05 0.19
126.95 0.19
144.00 0.39
145.00 0.49
146.00 0.30
»** «faun
147X0 0.13
178X5 0X9
179X5 0.18
181X0 0.17
182X0 0.16
183.10 0.11
218X5 0.37
lift tiU!L
220X5
288X0
290X0
291X0
292X0
357X5
359X5
0.23
0.58
0.77
0.09
0.35
0.51
1.00
abun
360X5 0.12
361X5 0X0
362X5 0.09
363X5 0X2
-------
Ret. Abundance
0.4 0.B
gggsjigaB
gp2222g|
Q^uoikOiio 3
mk mA «A mA mA mk mA 3
fe§8fefe8&
opppppo
2 Is ft §» w »
sssjssa *
g^^sggfe
© o o o o o o
fe&feo'oofe
S8P388&
§gaS§sg
oooooooJ
sbsfeife&s
HSglflP
io to to to to to
tn vi Oi ul ui in
o p o o «¦»
is o is u s
ImbbJmmbJLhmJI
SSSSSSi
I *!&$$& !S iS
On (p% w% 4r% n «"i ft.
W V# %J» W 2»
«
om&HiStS
09
mm mm mm mm mm mm mm
mA mA mA mA 0) O
S&Q8S5S
iaesfesaiS
O O 4C^ o O O C5ft
fciSSISSSSfe
mm mm mm mm mm mm mm
s^isss
siesslcss
¦A «4 «A tA «l «A mA K)
gggssisl
PPPPPPr* |
8U1
ro o>
oo|
Ub *
ui
-------
IUPAC Congener No. 138
2£\3,4,4t,5,-HEXACHIjOROBIPHENYL
CAS No. 35065-28-2
CI CI CI
Mafrfct-feofated Infrared Spectrum
i i I I
I i i i » I i i i i I H i i i ] i
*
o
S.
• r
i i i i i
4000 3500
1 J | I I i I j I !
3000 2500
Wavanumber,cm-1
1 | 1 I 1
2000 1500
L—ab£
73831 0.05
771.44 0.05
805.70 0.37
SStl ate
82137 0.14
891.14 0.13
1054.01 023
BIhl.ii J&t
108952 0.20
1107.35 0.07
1142.45 0.18
1180.76 0.21
1343.82 0.19
1368.05 0.24
144050 1X0
147335 0.13
M ass Spectrum
as
o
50
a**™
73.05 0.11
74.05 0.12
9840 0.11
108X0 0.09
109.05 0.24
11045 0.15
126.05 0.12
100
150 200
mfe Ratio
12655 0.12
144.00 0.27
145.00 034
146.00 0^1
147.00 0.09
179.95 0.08
181.00 0.09
250
mft afaun
182.00 0.10
217.95 028
21835 0.18
287.90 056
28930 0.73
29050 0.10
291 SO 036
300
350
400
450
Tflft
500
abun
32255
325.00
32850
35755
35955
36055
36155
0.12
0.19
0.12
0-52
1.00
0.13
031
36255 0.10
36355 0.34
-------
IUPAC Congener No. 139
2^'3,4,4'^-HEXACHLOROBIPHENYL
CAS No. 56030-56-9
a CI CI
Matrix-Isolated Infrared Soectrum
1 I t k | l I VI | i i i i j i t i i | i l l i | II » l I l i
i i i i | l "» i i
9000 2500
Wtvenuntber, cm-1
ero-1
ate
cm-1
cm-1
8ft
em-1
856X1
0X9
869.74
028
1178.67
0.19
1411.49
0.17
686X4
0.14
1031.14
022
1268X9
0.10
1424.42
1.00
733.42
0.07
108021
0.12
1321X5
0X7
1482X7
0.14
742X7
0.05
1108.70
0X8
1346.62
0X8
1488X8
0.12
801X5
0X9
1139.15
0.19
1379.14
020
1512X7
022
819X5
0X0
114621
023
1386.03
0X6
1534X0
0.17
mj ate
1567.10 0.41
Mass Spectrum
50
100
150 200
rate Ratio
250
900
950
400
450
500
Hft jfaflL
0.12
0.19
0.17
0.11
0.15
0.15
0.38
61.05
73.05
74.05
85X0
98.00
108X0
109X5
wn atoflL
110.05 024
126X5 0.16
126X5 0.16
144.00 0-39
145.00 0X1
146.00 0X2
147.00 0.14
MZ fitML
17935 0.12
181X0 0.11
182X0 0.11
218X5 0.41
219X5 0.24
235.10 0.13
288.00 0.66
abtm
290.00 0X5
292.00 0.39
322X5 0.16
325.00 027
327.00 0.17
357X5 0X2
359X5 1.00
360X5 0.12
961X5 0.79
963.95 0X3
-------
IUPAC Oongcncr No. 140
2£'3A4'^'-HEXAC3ILOROBIPHENYL
CAS No. 59291-64-4
. Matrix-tsofatgd Infrared Spectrum
1500
3500
3000
1000
4000
2500
2000
Wavenumber, cm-1
804.42 021
814.64 026
85923 024
at] ate
1087.34 0.09
11492S 0.13
1180.84 027
smJ ate
135620 0.07
136629 022
137331 020
and—ate
139026 0.08
142622 1.00
1444.49 0.07
1549.73 029
157628 020
Mass Spectrum
50
atom.
73.05 0.14
74JBS 0.15
98.00 0.12
108.00 0.10
109.05 026
11025 0.16
100
150 200
mte Ratio
250
300
350
400
450
500
Cft atBSL
126.05 0.13
12625 0.13
144.00 026
145.00 023
146.00 022
14720 0.10
m/x abun
18220 0.10
21725 020
21925 0.19
28820 0.58
28920 0.76
29020 0.10
ntt abun.
29120 026
32225 0.19
32520 029
32720 0.19
35725 022
35925 1.00
mft abun
360.95 0.13
36125 020
362.95 0.10
363.95 024
-------
SgSffiSijJS^
8338885!
O O
© e o o o
|${SnS*w3
t|3^S
8S8S888I
o o o o
sfcfcis
0007
SSjssgpSS
gfcssssfc
0000000
in h u U u u u
(Si u to o -» o -•
§888881
§§iS§^^
OOOOOOO
mJk CJ wA Jbfc "A flfr 49
IOOIO->-'0(D
e=§ss
io lo Id lo Id b
«K Si 01 01 01 01
o o o o -* o
fesSisfcte
Mat. Abundance
0.4 0.8
t 8
8
0.2
0.0
I
I
1
-------
IUPAC Congener No. 142
WA^^-HEXACHLOROBIPHENYL
CAS No. 41411-61-4
Matrix-isolated Infrared Soectrum
I i i i i ii i ri i i
CI CI CI
I I I I I I I
CI CI
I I I I I I I I I I I I \ I I I
N
I I I I I I I I
4000 3500
I « 1
3000 2500
Wavenumber, cm-1
em~1
abs
em-1
lbs
em-1
cm-1
681X8
0.09
879.00
0.09
1246X9
0.10
1329.18
0.69
690X1
0X1
1038X3
0X5
1252X1
0.17
1343X3
024
742X0
0X5
1048.89
0.19
1269.08
0.06
1353X7
1.00
747.41
0.46
1092.40
0.05
1284.16
0.12
1368X3
0X3
767X8
0.08
1130.63
0X5
1320.77
0.06
1387X3
0X1
cm-1 afas
1442.17 0.20
147855 0.07
Spectrum
50
yntt itmn
73.05 0.12
74.05 0.11
108X0 0.11
109X5 0X2
110X15 0.19
126-05 0.10
100
150 200
m/z Ratio
250
300
350
400
450
500
IDfiL»JbflL
127.05 0.10
131.95 0.11
144.00 0.37
145.00 0.40
146.00 023
147.00 0.12
»tiun
183.10 0.11
2184)5 0.42
220.05 027
288.00 0.66
290.00 0X7
291X0 0.12
sbtm
292X0 0.42
92?,fr5 026
325X0 0.42
327.00 027
357X5 0X3
359X5 1.00
ntt abun
360X5 0.14
361X5 0X2
362X5 0.10
363X5 0X5
-------
IUPAC Congener No. 143
2^*3.4,5,6*-HEXACHLOROBIFHENYL
CAS No. 68194-15-0
Matrtx-teolated Infrared Spectrum
CI
CI CI
a
4000
| I i i i |
3000 2S00
Wavenumber, cm-1
cm-1
em-1
cm-1
abs
cm-1
cm-1 abs
72233
0.19
83233
0.17
119335
0.13
1365.75
0.06
1565.02 034
74131
0.13
876.48
04)9
120034
04)8
140431
1.00
159432 0.11
781.19
032
1109.04
04)9
1270.01
0.10
143633
0.49
79331
031
1179.02
0.20
1348.94
033
153134
0.09
Mass Spectrum
50
m!z Bbuo_
100
150 200
mtt Ratio
250
900
350
400
61.05
73.05
74.05
85.00
98.00
1084)0
1094)5
0.11
0.19
0.16
0.11
0.13
0.15
0.33
mi afrvn
110.05 0.23
122.05 0.11
126.05 0.15
12635 0.16
144.00 039
145.00 0.49
146.00 0.28
m abun.
147430 0.13
17955 0.11
18130 0.11
1824)0 0.12
183.10 0.12
218.05 0.41
2204)5 0.26
IDS fiha.
2884)0 0.72
290.00 0-92
2914)0 0.12
2924)0 0.46
32? 35 0.24
325.00 0.40
3274)0 0.24
450
500
ffl/t
35755 054
360.05 1.00
361.05 0.13
361.95 032
362.95 0.10
36335 036
-------
H
3 6
y ^ z
< n
2 o o o o o
15523(8
(J r r r r r
fl§W5jS|
3 *>00000
aj^tssrs«
fliSliH
C t* t* r f" i" ~•
5^8583
oooooo
SSSSSa
*• »•*•»• N W
qqOOO
"T"
80 80 to
eoueqioeqv ieu
328288
oooooo
pfJSgSS
|0i-000
$$$$$
|§lii§8
P82$£($gi
dodoooo
gsssp?
d ui wttntn
r r rr
dodoooo
NNttlO«-Qs
o o o o o o o
$§§3333
SHS8:»«$
nnnnabS
5255555
?§2§iii
5RS88g§
-------
IUPAC Congener No. 145
2^'3,4,6,6'-HEXACHLOROBIPHENYL
CAS No. 74472-40-5
Matrix-Isolated Infrared Spectrum
{III
i I i < < I j I I I I | ) J I i j
9000 2500 2000 1500
Wavermmber, cm-1
em-1
cm-1
em-1
em-1
672X2
0X7
821.72
0X1
1144X9
0X3
1365.10
0.06
1572X3 0.45
675.64
0X5
827X9
0X5
1155.07
0.08
1409.49
1X0
1590.76 0.14
727X0
0.16
864.04
0.15
1179.03
0X5
1417.45
0X6
734.71
0.12
875X3
0.17
1194X9
0.14
1436.12
0.64
749X8
0X0
1032X6
0.06
1202.77
0.08
1470.17
0.05
780X2
0X2
108143
0.12
1254.04
0.07
1537.40
0X2
796X5
0X2
1115X1
0X9
1346X6
0X9
1565.75
0.44
Mass Spectrum
50
«"* afaon
61.05 0.18
73.05 0.29
74.05 Oil
83.95 0.13
85.00 0.16
86.00 0.12
97.00 0.13
100
150 200
mftRatto
m BtBSL
9840 0.19
108X0 0.21
109X5 0.43
1104)5 0.31
122X5 0.16
126.05 0.19
126X5 0.19
250
mtz flfrvn
131X5 0.12
144X0 0.46
145.00 0X8
146X0 0X4
147X0 0.17
179X5 0.18
181X0 0.18
300
350
400
450
500
wk sfrvn
182X0
183.10
218.05
220.05
288.00
290.00
291.00
0.16
0.15
0.47
0X1
0.70
0.89
0.11
""ft flbun
292X0 0.44
358.05 0X4
360.05 1.00
361.05 0.12
362X5 0.79
363X5 0X5
-------
IUPAC Congener No. 146
W^^'^^'-HEXACHLOROBIPHENYL
CAS No. 51908-16-8
Matrix-Isolated infrared Spectrum
CI CI CI
LI
I'u
1 »
11(1
1 1 1 j"T 1 1
i 1 • i
¦i-r-pr
Tn | ii
1 Ifl
i
100
3500
3000
2500
2000
1500
1000
Wavenumber, cm-1
em-1
Btff
em-1 sbs
em-1
665X9
0.05
86923 0.44
108823
0.08
1255.19 0.07
154238
038
68338
0.09
883.07 0.09
1108.42
0.16
134030 0.44
1558.79
0.49
71524
0.07
89330 0.16
1124.06
029
1389.01 038
1577.78
0.13
730JO
0.20
90936 041
1129.61
0.43
1416.78 0.78
76839
0.06
1043.76 024
114536
0.60
142830 028
63533
0.45
107937 0.74
119325
036
1470.60 1.00
CO
e
Mass Spectrum
50
abun
73.05 0.17
74.05 0.19
8335 0.11
8530 0.10
9830 0.15
108.00 0.12
109.05 031
100
150 200
mte Ratio
250
300
350
400
450
500
Ml atun.
110.05 020
126.05 0.14
12635 0.15
144.00 0.33
145.00 0.41
146.00 026
147.00 0.11
iutt ufaun.
179.95
181.00
182.00
218.05
220.05
28830
290.00
0.11
0.11
0.13
034
022
0.64
031
JD& 82U0-
291 £0 0.11
292X0 039
32235 0.17
32530 027
327.00 0.17
357.95 054
35935 1.00
mft afaun
360.95 0.13
361.95 0.81
36235 0.10
36335 035
-------
IUPAC Congener No. 147
2^'3,4'^,6-HEXACHLOROBIPHHNYL
CAS No. 68194-13-8
Matrix-Isolated Infrared Soectrum
I J I I I if J I J I I J
CI
I * 1 1 U
a ci a
fc}-01
j r
i i i r
111(111
I
i.
1 I 1 I ) 1 I i I | I 1 1 1 { I 1 1 I | t I I 1 | I 1 1 I | i I I
4000
3500
3000 2500
Wavenumber, cm-1
2000
1500
1000
cm-1
cm-1
cm-1
cm-1
cm-1
fl&ff
65835
0.06
62439
0.11
1106.15
034
1342.16
0.08
1550.42
035
674.19
0.44
- 848.42
0.71
1147.15
0.11
137230
036
156136
037
73943
0.07
870.19
034
116639
037
1386.12
0.43
159333
034
74631
032
1040.04
033
1239.16
0.11
1400.12
1.00
763.64
0.11
108135
0.19
126237
035
148232
0.48
Mass Spectrum
50
100
150 200
inte Ratio
250
300
350
400
450
500
61.05 0.11
73.05 0.16
74.05 0.16
8335 0.09
85.00 0.11
98.00 0.14
108.00 0.13
ifite abon
109.05 0.29
110.05 030
126.05 0.11
127.05 0.11
144.00 027
145.00 0.34
146.00 0.21
mtz abuo.
147X10 0.10
181XK) 0.09
182.00 0.09
18340 0.10
218X>5 034
22QJ0S 0^1
288.00 0.56
«faun
0.73
0.09
0.35
0.22
035
022
0.51
290XX)
291.00
29230
32235
325.00
327.00
35735
mfc BbUQ.
35935 1.00
36035 0.13
36135 030
362.95 0.10
363.95 034
-------
IUPAC Congener No. 148
w^^-hexachlorobiphenyl
CAS No. 74472-42-7
CI a
Matm-fsoJafed Infrared SDeetmm
I 1 II | l
I I 1 1 I i i i
4000 3500
fTTTTf
3000 2500
Wavenumber, cm-1
cm-1
,,BfrS
em-1
cm-1
fi&S.
ate
74021
0.05
86825
0.48
1185.62
0.13
140930
1.00
770.12 0.09
103333
031
124835
0.09
142732
020
80437
024
110730
0.08
125234
0.07
146229
026
81929
033
111941
035
127734
0.07
146439
026
83638
021
1126.65
034
1371.91
038
154639
0.49
85735
0.89
1152.10
0.17
138826
0.43
155838
0.46
iHThl mi tt&i
157522 0.15
M ass Spectrum
« i .1,1 j ^ 1 J,> ,l. i,>. I, , ¦ I
50
afaun
7105 0.17
74.05 0.19
33.95 0.10
98.00 0.14
108.00 0.13
109J05 032
11035 020
100
150 200
mfe Ratio
abun
122.05 0.11
126.05 0.15
12635 0.16
144.00 0.31
145.00 0.40
14630 027
147.00 0.12
250
300
M* abzo.
17935 0.10
16130 0.11
18230 0.12
21835 036
220.05 022
288.00 0.65
29030 035
ii
350
400
rtVz abtm
.291 JO 0.11
29230 0.39
32? 95 023
325.00 0.37
327X0 024
35735 032
35935 1.00
450
500
abun
360.95 0.13
36135 0.79
36335 0.34
-------
IUPAC Congener Na 149
2^'3,4'^',6-HEXACHLOROBIPHHNYL
CAS No. 38380-04-0
Matrix-Isolated Infrared Spectrum
I I I 1 I 1 1111 I 1 I I I
a ci a
CI
ci a
i i i i | i i i
j i i i i I i i i i t
12
N
©
4000
1 I I I ] i I i
3500
| i i I I J I i I i |
3000 2500 2000
Wavenumber, cm-1
OTr i
abs
cm-1
Bttt
nh«
67929
0.05
868.00
0.08
1123.67
0X8
1392X7
0X5
683.41
0X8
889X4
0.17
1136.10
0X0
1436.02
1.00
748.78
0X5
897.60
0X2
1147.47
0.15
1455.14
0.09
760X6
0.14
1049.40
0X9
1181X2
0.42
1475.45
0.49
814.75
0X4
1095X3
0X4
1336X9
0.17
1558.40
0.06
Mass Spectrum
50
tntt flbun
73.05 0.12
74.05 0.13
98X0 0.10
108.00 0.09
109X5 0.32
110X5 0.19
100
150 200
mfe Ratio
250
300
350
400
126.05 0.10
128.95 0.17
144.00 0X3
145.00 0.41
146.00 0.25
179X5 0.10
jUSC™—flt82L
181.00 0.10
182.00 0.09
218X5 0.34
220.05 020
288X0 058
290X0 0X0
F*""
292X0 0.34
322X5 0.14
325.00 0.24
326.00 0.16
327X0 0.15
328.00 0.09
450
Wfi
500
afaun
357X5 0.47
359X5 1.00
360.95 0.09
361X5 0.81
363X5 0X0
-------
IUPAC Congener Na 150
WA^W-HEXACHLCaiOBIPHENYL
CAS No. 6S194-OS-1
CI CI CI
a
Matrix-Isolated Infrared Spectrum
| |r i j I ! I I | !
T
CI O
I i I | I I 1
¦JH
T
1 i i
* *
I c»*
N
I i i i | I
4000 3500
1 I f | I I 1 1 j 1 1 1 1 |
3000 2500 2000
Wavanumber, cm-1
fP
!Il
1000
em-i
ste
cm-1
Stft
cm-1 i
Bbs
cm-1
abs
652X4
0.05
819.13
0.64
1148X6
0.06
1389X6
0.19
1549.13
0X3
726X1
0.09
854X9
1X0
1153X1
0X7
1423.62
0.47
1558X0
0X0
766.65
0.15
1026X4
0.17
1179X9
0X9
1430X4
0.76
1571.75
0X4
80626
0.16
1126.10
0X4
1374X5
0X2
1466X6
0.06
813.43
0.41
1138.66
0.19
1378.43
0X1
1474X7
0.11
Massspectrum
50
mfz abun
61X5 0.08
73.05 0.14
73.95 0.14
65.00 0.09
98.00 0.11
108.00 0.10
109X5 0.24
100
150 200
mfeRatb
mfc aba.
110.05
122.05
126.05
12635
144X0
145.00
146X0
0.16
0X9
0.13
0.13
0.28
0X5
0.22
250
mfz abun
147X0 0.10
179X5 0.11
181X0 0.11
182X0 ai2
183X0 0.08
217X5 029
219X5 0.18
300
350
400
JD& BbUQ.
287X0 0.49
289X0 0.62
290X0 0.08
291X0 0.29
357X5 052
359X5 1.00
360X5 0.13
450
500
lift ate"
361X5 0X0
362X5 0.10
363X5 0.34
365X5 0.08
-------
Rel. Abundant*
0.4 0.8
SsSfSgjSS^
ooPPPPP
1 * *. *J> —M> mJk mlk mMt
$ jj «n -* o> a» o
«A «A «L mA
SfcfcS
¦A
8
•4 «A|
M a
K O
ssg£
8
lii&
o o o o
P
o o
fcj $5 fe in
«*
uv
s&
*» m «* -*B
«3:38|523«i»
tobbbbvb
tn ut o o o tn o
oooooeo j
|i) b U U U li a s
Ia5>N0)»0>U3
SBPSSIB^
§8Sg8§g
o o o o o o o
tsssssSg
o o o o •* o
3SiS2g3g
Ll lO ill «l at 4
o o o o p p
ferfcttesfe
Ililifl
ssafeg^l
oooooPl
fe&afeteS1
is^sJbskfe
apoppp
8 6 o §> So ft
•4 «a «i «i in
s
oopooo
stifegfes
il
is
i
o
8
R«L AtMOfbanot
0.2 0.4 0.8
JLhhbbmJLhmm^^
-------
IUPAC Congener No. 152
2^*34,^-HEXACHLOROBIPHENYL
CAS No. 681944)9-2
Matrix-Isolated Infrared Spectrum
i
o
3500
3000
4000
2500
2000
1500
1000
Wavenumber, cro-1
675.55 025
782.03 0.69
79727 051
830.78 0.08
870.79 0.14
fllkl Bte
104224 029
107020 0.11
1083.47 028
1168.14 022
119228 0.10
SBkS ate
124624 023
1336.69 0.06
1368*0 020
1397.65 1.00
1422.49 0.13
cm-1 ate
14364)1 024
145821 0.05
156126 0.11
1567.91 0.13
158429 0.07
SIhl—Jte
159120 0.11
MassSpectrum
50
mtt jlbllL
81X5 0.08
73.05 0.14
7325 0.11
85.00 0.08
98.00 0.10
108.00 0.10
10925 024
100
150 200
mte Ratio
250
300
350
400
450
500
mfz afaun
110.05 0.16
122.05 0.08
126.05 0.11
12625 0.11
144.00 026
145.00 022
14620 0.19
WiZ abun
14720 0.09
17925 0.11
18120 0.10
18220 0.10
18320 029
21725 029
21925 0.19
28820 0.49
290.00 0.64
291.00 0.08
29120 022
35725 025
35925 1.00
36025 0.13
mfz abun
36125 022
36225 0.10
36325 025
36625 0.08
-------
IUPAC Congener No. 153
2^\4,4%5,5*-HEXACHLOROBIFHENYL
CAS No. 35065-27-1
ci a
a
Matrix-Isolated Infrared Soectnim
» I I * 1 < I iHl | 1 I » I j I I < I j i I I i j
a a
I I 1 J I I I I
•5
c
i ] i I i i i f ! i i j i I i i i i I i r i
4000 3500 3000 2500 2000
Wavmumber, cm-1
cm-1
cm-1
cm-1
sbs
em-1
656.71
0.17
869.68
0.09
110328
0.43
1336.14
0.13
1479.41 023
682.80
0.15
688.67
052
114824
0.61
1353.41
0.37
1581.40 0.12
71353
0.07
695.72
0.16
1249.67
0.05
136659
0.06
726.15
0.05
1048J89
054
125853
0.05
144855
1.00
825.89
0.27
1087.12
0.65
131631
0.09
1455.11
051
Mass Spectrum
50
mfz abun
73.05 0.12
73.95 0.13
98.00 0.10
108.00 0.09
109.05 0.21
110.05 0.14
100
150 200
mte Ratio
250
300
350
400
450
500
ftVZ ahm
126.05 0.10
12655 0.10
144.00 0.23
145.00 0.30
146.00 0.18
181J00 0.08
abun
182.00 0.09
21755 054
21955 0.15
28750 052
28950 0.64
29050 0.08
291 SO 0.31
32450 0.10
35755 054
35955 1.00
36055 0.13
36155 0.78
mft abun
362.95 0.10
363.85 0-35
365.85 0.08
-------
IUPAC Congener No. 154
2^\4,4*^*-HEXAC3ILOROBIPHENYL
CAS No. 60145-22-4
Mstrfr-tsoteted Infrared Spectrum
N
4000
M
i i i ] i i i i | i i r
3000 2500 2000
Wavenumber, em-1
cm-1
688.64
0.06
889.59
0.10
1150.31
0.19
1390.89
0.09
1549-61
0-36
805.41
024
1028.69
025
1186.10
0.09
1434.02
1.00
1578.64
0.41
818.90
0.81
1083.80
0.38
1249.07
0.06
1448.37
020
86023
028
1105.49
0.42
134325
0.30
1477.63
0.13
86728
0.06
1141.81
0.10
137058
025
1543.38
0.11
Mass Spectrum
50
0^_j3lU!L
100
150 200
rate Ratio
61.05
73.05
73J5
85.00
98.00
108.00
109.05
0.10
0.17
0.18
0.10
0.15
0.12
0.32
110.05 0.21
122.05 0.10
126.05 0.16
126.95 0.16
144.00 0.35
145.00 0.46
146.00 0.29
250
^ flLun
147.00 0.13
179J5 0.11
181.00 0.12
182.00 0.13
183.00 0.10
217:95 0.34
21935 022
300
350
400
450
500
nttfz afaun
287JO 0.61
289J0 0.81
290JO 0.10
291 JO 0.39
32235 0.11
324J0 0.19
326J0 0.12
H3H 8&UQ.
357J5 0.54
359.95 1.00
360J5 0.13
361.95 0.82
362.95 0.10
363J5 0.35
-------
IUPAC Congener No. 155
2^%4,4\W-HEXACHLOROBIPHENYL
CAS No. 33979-03-2
Matrix-Isolated Infrared Spectrum
CI CI
CI CI
I I I I
I I I'
I I i J I I I I I 1 I J 1 1 Jl I I J I I I I J I
T
N
4000 3500
¦f
} 1 I I I | I I
3000 2500
Wavenumber, cm-1
T
2000
i i l i i
I*
1500
1000
em-1
80557 0.45
8174)8 0.91
85925 0.49
cm-1 abs
1002.66 0.09
1097J88 024
1106.01 0.13
flUS
1114.83 0.07
115053 0.08
118456 0.10
«n-1
1371.64 0.48
139359 0.17
1419X5 0.79
cm-1 abs
1549.94 056
156223 0.14
Mass Spectrum
50
mfz abtm
61X5 0X7
73.05 0.12
74X5 0.12
85.00 0.07
98.00 0.10
108.10 0.08
109.05 0.21
100
150 200
mtt Ratio
abun
1104)5 0.14
1224)5 0.08
126.05 0.11
126.95 0.11
144.00 0.23
145.00 029
146.00 0.19
250
nrt _afcuiL
147X0 0.08
179X5 0.09
1814)0 0.09
1824)0 0.10
183.10 0.07
2184)5 0.25
2204)5 0.16
300
350
400
450
500
mfe abun
288.00 0.46
289.00 0.06
290.00 059
291.00 0.08
292.00 028
358X5 053
359X5 0.07
mtt atv"
360.05 1.00
3614)5 0.14
361X5 0.81
362X5 0.11
363X5 0.34
365X5 0.08
-------
IUPAC Congener No. 156
2J3'A4'^-HEXACHLOROBIPHENYL
CAS No. 38380-08-4
a CI
a
a
ci
Matrix-Isolated Infrared Soearum
' t > 1 l | I I l l | i i i i | i i i | j | i i 'i |
//—v "~a
I I I | I i »
M
I 1 I I | I I I I | 1 I I
4000 3500
T
TT
T
4
m
i I ijr
3000 2500 2000
Wave number, cm-1
1500
1000
CTTf-1
fit?
em-1
SZfcl
8I&
OlfcJ
ate
cm-1 abs
653.44
023
82328
0X4
107420
0.10
1266.16
0.05
1413.02
1X0
683X7
0X0
838X5
022
111928
0.08
1277X4
0.06
148022
0X4
711.74
0X6
87951
0.13
1136.49
0.41
1268.62
0.11
1526X6
0.15
728X2
0X6
903X1
0X6
1149.09
0.11
1343.61
0.40
1559X5
0X8
772X5
0X7
1036.48
0X8
118329
0.17
1380.78
0.10
Mass
Spectrum
50
ma. atvn
73.05 0.09
74.05 0X9
85.00 0X6
96.00 0.09
106.00 0.08
109x5 0.19
110X5 0.13
100
150 200
mfe Ratio
250
300
350
400
450
500
£& a&m.
126X5 0.10
126X5 U09
144X0 022
145X0 027
146X0 0-16
147X0 0.07
179X5 0.07
mft
181X0 0X6
182X0 0X7
183X0 0X6
218X5 022
220.05 0.14
288X0 0.39
290X0 0.49
291X0 0X6
292X0 024
357X5 0.53
358X5 0.07
359X5 1X0
360X5 0.13
361X5 0.78
nft—ibuo.
362.95 0.10
363X5 0X4
365X5 0.08
-------
Rel Abundance
0.4 0.8
„w_. I£2f
fcS&oSRSS?
a £% o o o o o
telssSai;
mm#
8888888
0000000
2§|p|sS
0000000
iiirsii*
isSfeiiss
o «» o o o © o
is S ic fe 8 is ft
£
OOOO
2 is j* *5
u> 01 o *+
81slg|?
is is 8
000 ojg.
sites**
ii|§g
AImaAhu
nW. AOflOVuanOO
0.2 0.4 0.6
» i l »
PPPP
S«J8S
0^0
888^
-------
IUPAC Congener No. 158
233%4,4\^HEXACHLOROBIFHENYL
CAS No. 74472-42-7
Matrtx-lsolated Infrared Spectrum
1 1 I I | I l lT| 1 I I 1 | I I 1
CI a CI
CI
a
I i i i i I ii t i i I i i i
4000
' « 1 T
3500
i i | i T 1 I | 1 I I 1 |
3000 2500 2000
Wavenumbar, em-1
i II I | II i
1500
jJ J Ji JI
em-1
em-1
em-1
em-1
651.73
0.13
79244
022
1056.18
0.10
134344
045
66646
024
820.12
0.40
113223
049
1380.77
0.07
68347
0.19
86641
0.12
1139.16
021
142444
1.00
71741
023
897.16
0.14
117929
025
147927
0.14
74045
0.06
103742
047
1271.67
0.06
153142
0.14
1 I 1 1
1000
em-1 abs
156153 0.13
15684)0 021
Mass Spectrum
"ft
6145 0X17
73.05 0.13
7445 0.12
8335 0.08
85.00 0.09
97.00 0.07
98.00 0.12
100
150 200
mfz Ratio
JDft abm.
108.00 0.10
109.05 024
110.05 0.17
126.05 0.11
1Z7.05 0.11
144.00 024
145.00 029
Bltt—fltitllL
146.00 0.17
147.00 046
17945 0.07
16140 048
16240 048
183.10 046
21845 026
JDK BfaUQ.
22045 0.17
28840 0.44
29040 0.58
29140 0.08
29240 029
35845 0.54
35945 0.07
500
afaun
36045 1.00
36145 0.14
362.05 0.83
36245 0.10
363.95 045
36545 0.08
-------
IIIPAC Hnnffener Nn HO
CI
CI
Matrix-Isolated Infrared Soeetnim
i i i ill i ir i i i
m
«? .
e
e
3500
3000
2000
4000
2500
1500
1000
Wavenumber, cm-1
aft
abs
693X5
0.16
919.00
0X0
1182X6
0.19
1392X4
0X6
752X6
0X6
1081.13
0.07
119357
0.09
1404X4
1.00
809X9
0.47
1102.17
0.13
1272.73
0.07
1421X3
0.19
838.15
0X7
1117.56
0.05
1342.69
059
1527X5
0X3
865.14
0X4
1136.66
0X3
1364.06
0.08
1569.47
0.44
eo
e
SgBCtTUTTI
150 200
mfc Ratio
tnfe abun
ei.05
73X5
74.05
85.00
98.00
108.00
109.05
0.06
0.10
0.11
0.07
0.09
0.09
0.20
flltt B&W1
1104)5 0.13
128X5 0.09
126X5 0.10
144.00 021
145X0 0.26
146.00 0.16
147X0 0.08
mtz abun
179:95 0X6
182X0 0X7
183X0 0.06
21755 024
219X5 0.15
253X5 0X6
288X0 0.42
mfz abun
289X0 0.06
290X0
291X0
291X0
357X5
358X5
359X5
0.55
0.07
0.26
053
0.07
1.00
500
abun
360.95 0.14
361X5 0X2
362X5 0.11
363X5 0X4
365X5 0.08
-------
IUPAC Congener No. 160
233'.43j6-HEXACHLOROBIEHENYL
CASNa 41411-62-5
Matrte-isofateel Infrared Soeetium
I l I l | l I V I —
1 I 1 I j I ) 1 I { I 1 1 I |
3000 2500
Wavenumber, cnvl
em-1
em-1
em-1 i
abs
em-1
68042
044
89946 041
1262.79
0.09
1366.66
¦Hb
045
1572.75
0.12
722.13
1.00
107246 047
1269.69
0.12
138146
044
158145
048
77749
0.08
1064.46 0.11
129948
0.08
1406.48
0.05
159240
0.13
792.14
0.14
110444 0.27
1328.17
049
142240
0.14
88642
0.05
125641 048
134945
045
1478.75
0.09
MassSpectrurn
50
mte atoun
60.00 0.08
734)5 0.08
7345 0.08
108.00 0.08
10945 0.20
110X5 0.12
100
150 200
m/z Ratio
250
300
350
400
450
500
wife abun
126.05 0.09
126.95 0.09
13145 0.08
144.00 043
145.00 0.24
146.00 0.15
mn atiun.
14740 047
18340 0.07
21745 026
219.95 0.17
28840 0.46
28940 059
29040 0.08
29140 049
35745 044
35845 0.07
35945 1.00
36045 0.13
oft atemi.
361.95 041
36245 0.10
36345 045
36545 0.06
-------
IUPAC Congener Na 161
233\44\6-HEXACHLOROBIPHENYL
CAS Na. 74472*45-8
Matrtx-fsdsted Infrared Sped rum
1 I 1 1 | 1 1 ij j J 1 < I ) i i
CI CI a
a a
e
N
o
I I I I |
4000 3500
T-T"T
III ] i i i
•| \ i i i t | i iii)iii
3000 2500 2000
Wtvanumber, cm-1
cm-1
lbs
cm-1
fittt
cm-1 i
nfc
cm-1
650.66
0.13
810.09
0X7
1100X0
0.14
1391.68
0.16
66244
0.07
825.68
0X5
1120.73
0.17
1409X0
1.00
695.63
0.06
865X3
0.41
1142X7
0.05
1416X2
0X5
702.15
0.47
905.08
0X2
1180.79
0X0
1453X7
0.15
736.00
0.07
1068X5
0X7
1341.14
0.71
1532.45
0.11
772X6
0.05
1077X8
0.13
1366X7
0.08
1567X2
0.68
cm-1 m
1595X1 0.49
Mass Spectrum
50
Bfi. _flLun.
61X5 0.08
73X5 0.13
74J0S 0.12
85.00 0X8
98.00 0.11
108.00 0.11
109X5 0X4
100
150 200
tufe Ratio
250
300
350
400
450
500
abun
110.05 0.16
122.05 0X7
126.05 0.12
126X5 0.12
144.00 0.24
145.00 0X1
146.00 0X0
tnfz
147X0
179X5
181X0
182X0
183.10
218X5
220.05
ahm
0.09
0.07
0.07
0.08
0.08
0X8
0.16
"ift abun
288.00 0X1
289X0 0.08
290X0 0.65
291X0 0.09
292X0 0X0
357X5 0X3
358X5 0.07
abun
359X5 1X0
360X5 0.13
361X5 0.77
362X5 0.10
363X5 0X4
365.95 0.08
-------
IUPAC Congener Na 162
233M'^^*-HEXACHLOROBIPHENYL
CASNa 39635-34-2
Matrtx-lsotated Infrared Spectrum
wi
i i t I i i rTj i j i i | i
i i i I i i i r
| I I I I | I I
is
N
I I I I | I I I 1 | I I I I | 1 I i I |
JlI
i L
I 1 • ' 1 I 1
li
4000 3500
i i r
9000 2500 2000 1500
Wavsnumber, cm-1
1000
fim-1
ate
cm-1 i
m.
656X9
0.08
awia
0.41
1121X9
0X3
1391X3
0.76
1561.12 0X5
662.63
0.07
868X7
0X6
1127.19
0X9
1413X5
0X2
1575X3 0X3
666*0
0.08
874X3
0.13
1166.46
0.74
1428X0
0X8
873X4
0.08
907.41
0.05
1199X6
0.13
1437.72
0.18
70531
0.15
1041X0
0X0
1206.79
0.07
1447.74
0X0
719X9
0.12
1050X5
040
1258.68
0.08
1533X9
0X4
816.14
1.00
1109.61
0X7
1367.73
0.75
1546.17
0X0
50
61.05 0.09
73X5 0.15
74.05 0.18
83X5 0.12
85.00 0.09
86.00 0.08
98.00 0.15
100
150 200
nVz Ratio
250
aoo
350
400
450
500
"ft
108.00 0.12
109.05 0.31
110.05 0.20
122X5 0.08
128.05 0.14
126X5 0.14
144.00 0.32
MZ afaon
145.00 041
148.00 0X5
147.00 0.11
17955 0.10
181X0 0.10
182.00 0.11
183.00 0J09
"ft
218.05 0X1
220X5 0.19
288.00 0.50
290.00 0.63
292X0 0.31
357X5 055
359X5 1.00
]DfiL_JtlU!L
360X5 0.12
361X5 0.80
362X5 0.10
363X5 0.35
-------
IUPAC Congener No. 163
233'.4't5,6-HEXACHLOROBIPHENYL
CAS No. 74472-44-9
Matrix-isolated Infrared Spectrum
i l l i I l I n > l I
Ci
TTTTTT
a ci a
0-6-
ct CI
a
i i \ ] i i i
TT
I I i i
1 I | I
• 1 * .
• • I •
i i i
rrr
00
3500
3000
2500
2000
1500
1000
Wavenumber, cm-1
em-1
cm-1
em-1
abs
66223
0.05
824.74 0.15
1143.62
054
1351.14
0.13
1488.10 0.15
66553
055
873.77 056
115054
0.05
137153
053
154856 050
67550
027
1037.74 058
116655
059
138355
0.73
156155 058
685.62
0.47
105451 0.06
124358
0.09
1400.47
1.00
159156 0.14
72952
0.72
1066.63 0.67
125853
053
147458
0.54
74949
0.10
113353 051
1269.07
057
147955
059
Mass Spectrum
50
gfaun
61.05 0.07
73.05 0.12
74.05 0.12
85.00 0.08
98.00 0.11
108.00 0.10
109.05 053
100
150 200
mtt Ratio
110.05 0.16
126.05 0.11
12655 0.11
144.00 0.24
145.00 0.29
146.00 0.18
147.00 0.08
250
JDS a&UQ.
179 J 5 0.08
18150 0.08
182.00 0.09
183.10 0.08
21855 026
220.05 0.17
288.00 0.46
300
350
400
abun
290.00 0.58
2914)0 0.08
292.00 0.28
35755 054
35855 0.07
35955 1.00
36055 0.13
450
500
"ft «bu"
36155 0.79
36255 0.10
36355 0.34
365.95 0.08
-------
IUPAC Congener No. 164
23t3",4'4*t6-HEXACHLOROBIPHENYL
CAS No. 74472-45-0
a ci ci
ci ci
Matrix-Isolated Infrared Spectrum
'llitfllll | l 1 I I | I I I I |
| |l I I I | I I I
i i
N
lULli
4000
I I 1 1 J 1 I I | I i I I { I I I 1 | I I I I | I I I I ) I I I
9500
3000 2500
Wavenumber, cm-1
2000
1500
1000
em-1
cm-1
em-1
cm-1
tlbfr
cm-1 abs
65355
025
61853
058
1079.47
0.05
1385.18
025
1558.44 0.12
668.33
0.12
876.72
0.06
116521
025
142559
150
159138 0.15
678.41
0.05
104054
056
1160.16
050
145524
0.10
721*41
023
105120
0.11
1200.16
0.10
153855
0.13
808.63
0.43
107121
025
1371.40
0.41
1548.60
028
Mass Spectram
50
nv* afaun
73.05 0.14
74.05 0.16
83.95 0.10
85-00 0.08
98.00 0.12
10850 0.10
100
150 200
tnte Ratio
250
300
350
400
450
500
109.05 0-25
110.05 0.16
126.05 0.12
12655 0.11
144.00 0.24
145 X>0 0.30
nv* jfiun.
14650 0.19
1474)0 0.09
181.00 0.08
18250 0.10
183 JO 0.08
217.95 027
JDflL—J&UQ.
21955 0.17
287.90 0.48
28950 0.63
29050 0.06
291 SO 0.31
35755 0j54
"ft
35955 1.00
36055 0.12
36155 0.82
36255 0.10
36355 0.35
-------
TUPAC Congener No. 165
233\5^%6»HEXACHLOROBIPHENYL
CAS No. 74472-46-1
Matrix-isotated Infrared Spectrum
i i | i i i i | i i i
3000 2500
Wavenumber, cm-1
1000
HTM.
fibs
cm-1
abs
fibS. -
sm-1
fibs
em-1
fibs
68344
040
87149
0.17
1166.71
0.43
1385.05
0.63
156849
042
72449
040
107847
140
1253.16
045
1393.17
0.44
1590.75
0.16
81148
041
110044
0.13
134045
0.10
1409.10
0.U
1598.75
044
83548
0.05
111946
044
136747
0.49
- 1420.75
0.19
86545
040
1151.14
0.13
137441
048
1551.76
049
Mass Spectrum
50
100
150 200
ma Ratio
250
300
350
400
450
500
tnfe aixin
7345 0.11
74.05
98.00
108.00
109.05
11045
126.05
0.11
0.10
0.09
0.21
0.14
0.10
lltt fibUQ-
12645 0.10
14440 021
145.00 0.27
146.00 0.17
147.00 0.08
17945 0.07-
182.00 0.08
an abun.
183.00 047
21745 025
21945 0.16
28740 0.48
28840 047
28940 0.63
29040 0.08
B&UQ.
29140
35745
35845
35945
36045
36145
36245
0.30
043
0.07
1.00
0.13
042
0.11
mfr abun
36345 044
36545 0.08
-------
IUPAC Congener No. 166
2A4,4\54-HEXACHLOROBIPHENYL
CAS No. 41411-63-6
Matrix-Isolated Infrared Spectrum
i * * i | i • I l | I I i 1 | i I I I |
£5
"I | I 1 1 I | i i i r
3000 2S00
Wavtnumber, em-1
1 r
em-1
fife?
cm-1
cm-1
ate
fiflM.
ate
690.36
OSS
107250
020
12714)6
028
137939
031
737.39
0.63
109352
0.49
1300.23
037
1391.66
0.18
75157
0.71
1110.76
0.15
132926
130
1400.71
0.17
833.12
0-31
1157.14
035
133531
0.12
149529
0.60
1019.17
0.48
1258.10
0.18
135324
039
154130
0.09
""-1 «bs
159139 0.18
Mass Spectrum
50
mtt whitn
50.00 0.07
73.05 OjOS
109.05 0.20
11035 0.13
126J05 0.08
100
150 200
mfe Ratio
250
300
350
400
450
500
mft abufi
12635 0.08
144.00 021
145.00 023
146.00 0.14
147.00 0.07
21755 026
21935 0.17
28730 0.43
28930 056
29030 008
29130 0.27
35735 0.52
35835 0.07
35935 1-00
36035 0.13
"ft a**"
36135 030
36235 0.10
36335 0.33
36535 0.08
-------
IUPAC Congener Na 167
2,3'»4,4'^^'-HEXACHLOROBIPHENYL
CAS No. 52663-72-6
Matrix-Isolated tnfrared Spectrum
i j i I J I I I 1 1 I I I I I I | 11 I I I | » I
4000
I I | I I I
3500
i r
j i I r r ii | I j i j | i i
3000 2500 2000 1500
- Wavenumber, cm-1
cm-1
abs
cm-1 abs
cm-1 i
abs
cm-1
As
cm-1
a&s
653X8
0.11
877.70
0X9
1065X9
0X0
1208X4
0.07
1409X0
0X6
685X7
0.10
896X8
0X8
1101X9
0.19
1244X6
0.05
1430X7
1X0
705X1
0.11
915.14
0.10
1145.71
0X3
1260.75
0.06
1471X2
0.47
789.40
0.09
1029X5
0X5
1161X2
0.17
1338X2
0.40
1533.43
0X8
813X4
0.44
1040X4
0X6
1169.14
0X8
1383X7
0X6
1553.02
0X1
671X3
0X5
1048.17
0X5
1200.04
0.10
1400.64
0.08
Mass Spectrum
SO
[tfl Btmn
73X5 0.10
74X5 0.13
63.95 0.06
98.00 0.10
108X0 0.09
109.05 0.22
110j05 0.14
100
150 200
mfc Ratio
250
300
350
400
Tflfc BfatfTI.
126.05 0.10
126.95 0.10
144.00 0X2
145X0 0X8
146.00 0.18
147X0 0.08
179X5 0.07
181X0 0X8
182X0 0.09
217X5 023
219X5 0.15
288X0 0.40
289X0 052
290X0 0X7
291X0 0.25
357X5 0.54
358X5 0.07
359X5 1X0
360X5 0.13
361X5 0X2
362X5 0.10
450
500
abun
363X5 0.34
365X5 0.08
-------
IUPAC Congener No. 168
Z3',4,4'^',6-HEXACHLOROBIPHENyL
CAS No. 59291-65-5
Matrix-isolated infrared Spectrum
4000 3500
I • * * • I •
3000 2500
Wavenumber, cm-1
705.75 0.06
735.13 0.08
79055 024
SSItl fife.
801.76 023
81627 024
82226 029
«"-l abs
86222 021
87624 04)6
104124 0.05
«tvl abs
1101.78 0.07
1108.09 0.05
1149.43 0.06
mtJ ate
1163.70 026
1185.69 0.07
MassSpectrum
50
100
150 200
mtz Ratio
250
300
350
400
450
500
m abzL
6125
73.05
74.05
8325
85.00
98.00
108.00
027
0.13
0.15
0.09
0.08
0.11
0.09
2ft ibm.
109.05 021
110.05 0.14
126.05 0.11
126.95 0.11
144.00 023
145.00 029
146.00 0.18
ah""
14720 028
18220 0.09
18320 0.07
21725 024
21925 0.15
25325 027
28820 0.47
mfz
29020
291.00
29120
35725
35825
35925
36025
028
0.08
028
025
0.07
1.00
0.13
"ft abun
36125 021
36225 0.11
36325 025
36525 0.08
-------
IUPAC Congener No. 169
33%4,4'^'-HEXACHLOROBIFHENYL
CAS No. 32774-16-6
Matrfr-isotaledtnfrared Spectrum
| 1 1 i r» j 1 1 i I | I l l I | l l l l { ll l I l | i l
j i r
5 .
«!
JaL
m
u
-L
4000
« I I 1 I
3500
I | I 1 I I | 1 1 I I j 1 1 I i [
3000 2500 2000 1500
Wavenumber, cm-1
T
1000
702X1 0.06
808.03 0.49
818.11 0.36
ssti ate
863X3 0.19
1040.47 0.13
1167.13 0X1
sssti abs.
1209.03 0.07
1253X7 0.11
1357JO 0.42
m ate
1409.47 027
1423.12 1.00
1529X1 0X4
c&J abs.
1538.10 0X5
M ass Spectrum
50
mfc afau"
73.05 0.08
74.05 0.12
83.95 0.09
98.00 0.10
108.00 0.08
109.05 0.20
110.05 0.12
100
150 200
m/t Ratio
250
300
350
400
OH flfaCL
126.05 0.10
126.95 0.10
144.00 020
145.00 026
146.00 0.16
147X0 0.07
179.95 0X7
mn atuo.
181X0 0.07
182X0 0.07
217X5 022
219X5 0.13
253X5 0.06
288.00 0X5
289X0 0.45
WtZ afeHL
290X0 0.06
291X0 021
357X5 031
358X5 0.07
359X5 1.00
360X5 0.13
361X5 0.77
450
500
m ibm.
362.95 0.10
363X5 0X3
365X5 0X6
-------
IUPAC Congener No. 170
2a'33'.4,4'^-HEPTACHLCmOBIPHENYL
CAS No. 35065-30-6
Matrix-isolated Infrared Soecf ram
I i l 1 j 1 1 irl | I 1 I I j I t I I ) 1 I 1 1 | I I I I | I 1 I
o
M
4000
i i i i | 1 I j i | I i I i J i i » I i i
3000 2500
Wavenumber, cm-1
em-1
cm-1
em-1 i
¦fas
em-1 i
abs
655X6
0.11
843X3
023
1164X4
0.05
1348.41
0X2
1458.76 0.13
66625
0X0
88121
0.06
1180X9
0X9
1363X1
0.17
1529X3 0X7
76927
0.08
911X3
0.06
1275.43
0.05
1370X0
0.19
794.40
0X4
109724
0X5
1287X5
0.07
1409.49
1X0
819X5
026
1130X6
0.10
1291.18
0.08
1449.48
0.08
Mass Spectrum
50
JQ& Steffi-
73.05 0.19
83.95 0.13
98.00 0.12
108.00 022
1094)5 0.18
12655 021
126.95 020
100
180 200
nift Ratio
afaun
143.00 0.15
144.00 020
145X0 0.14
146X0 0.12
181X5 028
161X5 0-45
182X5 029
250
oft stem.
-182X0 0.12
252X0 0X7
254X5 0X5
321X5 0X6
323X5 0X3
325X0 0.12
326X0 0X9
300
350
400
450
500
mtz stem.
328.00 0.19
356X5 0.17
358X5 0X3
360X5 026
362X5 0.11
392X0 0.46
394X0 1.00
Oft Bfe£L
395.00 0.13
396.05 0X7
397X5 0.12
397X5 0X1
399X5 0.16
-------
IUPAC Congener No. 171
22\33M,4*^HEFTACHLOROBIPHENYL
CAS No. 52663-71-5
Matrix-Isolated Infrared Soedrum
1 t I t | I in J 1 1 1 I j
ci a
1 I I I I I 1 I J II I I 1 I 1
M
4000
I I 1 t I j 1 1 1 I I 1 1 1
3000 2500 2000
Wavenumber, cm-1
• i
em-1
abs
anJ
arv1
cm-1
ate
cm-1
abs.
67136
038
81828
039
105922
0.06
117730
034
141932
1.00
743.00
0.12
82924
0.10
110235
0.13
1266.41
0.05
1534.43
0.18
77830
0.07
86533
0.13
1139.44
0.09
134636
0.67
1565.17
028
806.18
0.58
903.10
0.10
116236
0.09
1369.18
038
Mass Spectrum
J .lit I J) I.
JJUk.
50
nVz abun
73.05 027
8335 0.19
85.00 0.15
98.00 0.17
10830 034
109.05 028
11035 0.18
100
150 200
nVr Ratio
abun
LJ
Li
126.05 035
12635 0.33
13135 0.16
143.00 023
144.00 033
145.00 020
148.00 0.19
250
300
18035 0.48
18135 0.79
16235 0.48
182.00 0.17
19630 0.14
19730 0.15
25130 0.49
£0
400
ab»n
25335 0.45
32135 0.63
32335 0.99
326.00 0.63
328.00 0.20
35635 0.16
35835 0.34
450
500
36035 027
39130 0.43
39330 1.00
39530 030
39735 0.47
-------
IUPAC Congener No. 172
Z2'33%4^,-HEPTACHL0R0BIPHENYL
CAS Ho. 52663-74-8
I
ci a
Matrtx-teolated Infrared Spectrum
IlL
§ i»11
4000 3500
I 1 | I I I I | I I I I | ( I I i | J 1 I I | I I I
3000 2500
Wavenumber, cm-1
2000
1500
1000
sm-1
jbs
em.1
ahs
cm-1
B&S
cm-1
653X1
0.05
879.16
0.07
1147.42
0.18
1387X8
055
723.79
0.06
0.28
1182X8
0X4
140955
0X4
754X9
035
1050X5
0.18
1191X5
0X9
1429.48
0X2
82958
0.27
109323
0.12
1345X7
1X0
1437X8
0.14
841X3
0.46
111251
0.14
1358.84
0.05
152958
0X3
869X4
050
1126.10
055
1382.62
0.66
155855
0.46
mwl abs
1569X6 0.17
Mass Spectrum
50
100
150 200
m* Ratio
250
300
350
400
450
500
0.18
0.12
0.22
0.19
0.22
0.21
0.17
73.05
83X5
108.00
109X5
126.05
126 55
143.00
SDH B&&.
144.00 0.22
145X0 0.14
146.00 0.13
161.05 0.32
161X5 051
162X5 0.32
182.10 0.12
mil tea.
196J0 0.11
252J00 038
254.05 036
321X5 055
323X5 030
325.00 0.11
326X0 056
JDZmJBUL
328X0 0.18
35635 0J21
35855 0.39
36055 0.33
36255 0.13
392.00 0.44
394X0 1.00
mn atom.
395.00 0.13
396.05 0X1
397.05 0.11
398.05 0-49
399X5 0.16
-------
IUPAC Congener No. 173
2^%33%4,5,6-HEFTACHLOROBIFHENYL
CAS No. 68194-16-1
Matrix-Isolated tnfrared Spectrum
1 , , Y —
a ci ci ci
~$-b
a ci
i r i | i i i i j i i i i | i i i
CM
i I I | I I I I "| I I I I | I I I 1 { 1
111(111
4000
3500
3000 2500
Wavenumber, cm-1
2000
U 1 1 1 1 I
1500 1000
il
J&S.
cm-1
69352
021
905.79
022
1158.70
0.13
1328.04
053
1418^47
025
737.19
057
104626
0.07
126626
0.10
135253
1.00
146155
0.05
780.02
0.06
105324
0.13
1273.06
023
1372.72
052
156749
0.10
793.03
0.10
108053
0.14
132027
0.06
1384.66
056
Mass Spectrum
50
73.05 021
85.00 0.16
108.00 021
109.05 022
126.05 029
12655 027
13155 0.15
100
150 200
mfe Ratio
250
300
350
400
m,, atom
143.00
144.00
14450
148.00
16055
16155
16255
021
022
0.16
0.14
029
0.63
0.41
18250 0.19
19650 0.14
19750 0.13
25250 0.49
25455 0.46
256.05 0.14
32155 0.62
IDS i JltlilL
1.00
0.63
0.19
025
0.46
028
0.15
32355
32650
32850
35655
35855
36055
36255
450
500
392.00 0.40
39350 0.94
39550 056
39755 0.45
399.95 0.15
-------
Sfefcfc&8<
o o o o o o P
mA «A «A «A «4 «A «A 3
fSB38iitt»
sisisisSSs
p o o o o o e|
Siifefciaiiip |
MSISHfl
btobfetotofe
ouiuiuiooo
pppppop |
wfefc&fclJ rS 3
8
iiisip ,
tefcfefefe 8
8
iisSSSfei
o o o o o o o
ftsfefe&ste
fcfcfclsisis
ppppp-
S^SkeSg
I 8
8
Rel. Abundance
0.4 0.B
i i i
R«l Abeotbano*
0.4 0.8 0.0
0.2
a.
u«
£
3
i
-------
IUPAC Congener No. 175
2a'33'.4^,,6-HEPTACHLOROBIPHENYL
CAS No. 40186-70-7
©
12
N
CI CI
Matrix-Isolated Infrared Spectrum
I I I I II l l l l |
\L
4000
| i i i i | i t
3000 2500
Wtvenumber, cm-1
| I i l I | l I I l |
2000
1500
1000
J2QJ—
sb?
cntf
ate
cm-1
abs
cm-1
ate
65423
0.19
868.62
027
1124.79
0.44
138920
022
73227
0.16
90825
020
118027
0.31
140721
120
77625
0.13
104523
022
119323
0.05
142822
023
82327
0.45
109620
025
1343.00
025
144823
028
839.16
0.19
1111.49
0.06
1380.76
029
1534.49
0.17
1559.78 0,37
Mass Spectrum
50
nft tein
7325 022
8325 0.14
106.00 025
109.05 0.21
110.05 0.12
126.05 023
12625 022
100
150 200
mte Ratio
m BbUQ.
13125 0.13
143.00 0.17
144.00 0.24
145.00 0.16
146.00 0.16
160.95 020
16125 0.48
250
afaun
16225 021
18220 0.13
19620 0.14
19720 0.13
25220 029
25425 028
32125 028
300
350
400
450
500
job afaun.
32325 021
32620 029
32820 0.19
35625 021
35825 0.41
36025 023
36225 0.13
afaun
39120 0.46
39320 1.00
39420 0.12
39520 023
39725 022
39925 0.16
-------
IUPAC Congener No. 176
2a'33M^.6'-HEPTACHLOROBIPHEKYL
CASNa 52663-65-7
a ci a a
Matrix-Isolated Infrared Spectrum
I I I l l II liii
| I l 1 1 | 1 1 1 1 | l 1 I 1 (
(M
ct a
i i i i I i i i
4000
l I | 1 I l
3500
i i i | i i i i j
3000 2S00 2000
Wavenumber, cm-1
cm-1
abs
cm-1
8tK
cm-1
65445
0.14
83047
049
1152.67
0.07
142341
140
659.12
0.12
86443
0.12
118049
0.49
146046
0.11
73241
0.05
898.49
044
1343.01
046
1535.62
0.15
770.64
0.15
105443
042
137449
0.19
1559.03
0.12
81343
044
1121.17
0.12
1383.69
041
1568.16
0.17
1579.09 0.07
Mass Spectrum
50
JD&—jRlML
100
150 200
mte Ratio
nVZ flfaUO-
73.05
83J5
85.00
108.00
10945
110.05
126.05
0.16
049
049
0.17
0.15
0.09
0.16
12645
13145
143.00
144.00
145.00
146.00
16045
0.16
0.09
0.11
0.16
0.11
0.11
0.21
250
lift BhBL
16145 052
16245 021
182.10 0-09
19640 0.12
19740 0.11
25240 048
25445 046
300
350
400
Ml BbUQ-
0.06
0.42
0.68
0.09
0.43
0.14
0.46
25645
32145
32345
32540
32640
32840
39140
450
500
an ate"
39440 140
39440 0.13
396.05 0.93
396.95 0.12
39745 041
39945 0.17
-------
JUPAC Congener No. 177
2£\33\4\S^HEPTACHLOROBIPHENYL
CAS No. 52663-70-4
Matrbc-fsotated Infrared Soecbum
• * » » 1*1 li i i j
CI CI CI a
CI CI
I I I i I I I I I I I J 1 I
I I I I j I I I I I
(SI
4000
I I | I I
3000 2500 2000
Wavenumber, cm-1
I I | I I
1500
em-i
ate
em-1
cm-1
sto
cm-1
8tff
66255
0.06
785.55
0.18
1101.68
026
134855
0.07
146121
020
67053
0.05
821.23
0.10
1166.45
056
1367.00
0.43
155057
056
686.65
0.42
871.22
0.10
1181.58
0.19
137850
055
159054
0.14
726.75
0.09
889.67
053
124659
0.10
1401.70
1.00
750.06
0.35
106454
0.19
1259.43
0.17
1452.73
057
Mass Spectrum
50
100
150 200
mfz Ratio
udi.
afaun
73.05 0.14
10850
109.05
126.05
12655
143.00
1444)0
0.17
0.15
0.19
0.18
0.13
0.19
145.00 0.12
146.00 0.11
16055 028
16155 0.45
16255 02B
162.00 0.11
19650 0.11
250
wift flhin
19750 0.11
25150 053
25355 053
25555 0.10
32155 0S2
32355 054
32550 0.11
300
350
400
450
500
Oft "b"n
326.00 0.53
328.00 0.16
35655 0.23
35855 0.43
36055 0.34
36255 0.14
39150 0.46
JBH SlML
393.90
394.90
39550
396.95
39755
39955
1.00
0.13
0.98
0.12
0.51
0.15
-------
IUPAC Congener Na 178
W\33%54'^HEPTAC^OROBIFHENYL
CASNa 52663-S7-9
ci a a a
Matrix-Isolated Infrared Spectrum
I I | i I II | I I 1 1 j 1 l I l ) l l i I |
TT
5-
i I t * I '
N
i r { i i i i | i i i i | i
3000 2500 2000
Wavenumber, cm-1
T%-*
I
vJI
JL
i i | rTi i
1000
I 1 1 I I I
4000 3500
1500
Jte
em»1 abs
cm-1
680.12
052
87052
0.45
116759
0.61
139355
150
689.40
021
104858
053
1177.77
0.06
1401.03
0.72
74159
0.17
1095.18
057
1262.77
0.12
1412.10
053
74754
0.71
111059
055
1344.00
0.14
143557
0.19
827.40
0.09
112556
051
1358.77
058
155257
0.41
83656
0.42
115950
0.14
137450
0.10
1561.02
0.44
157653 0.08
Mass Spectrum
50
ih^ aLun
73.05 0.19
83-95 0.13
108.00 024
109.05 021
12655 025
12655 024
13155 0.12
100
150 200
m/k Ratio
250
300 350 400
abon
143.00 0.17
144.00 024
145.00 0.16
146.00 0.16
16055 0.36
16155 058
16245 0.36
182.00 0.14
19650 0.16
19750 0.16
25250 0.42
25455 0.39
32155 057
32355 059
lift atom.
326.00 0.56
328.00 0.18
35655 024
35855 0.47
36055 0.40
36255 0.15
39150 0.45
450
500
39350 1.00
39450 0.12
39550 0.91
39755 0.50
39955 0.16
-------
IUPAC Congener No. 179
2l2'33,^,6f6,-HEPTACHLOROBIPHENYL
CAS No. 52663-64-6
a ci a ct
Matrtx-teolated Infrared Spectrum ® CI CI
¦ i i i i » i ri | i i i i | i i i i | i i i i | i i i
• r
€4
JL i
I jL
1 t-
1111
4000
r
3500
1 I I | I I « I | 1 » I I | 1 I I I | I < I I | I I 1
mJ ate
656.48 0.05
677.45 0.08
682.48 0.26
689.38 0.07
743.25 0.09
3000 2500
Wavenumber, em-1
2000
76336 021
813.18 032
87134 0.13
106238 1.00
1170.70 027
sntl ate
1180.17 0.28
118534 0.15
1239.45 0.11
1348.40 0.41
1355.70 0.07
1500
flik] ate
1399.17 030
141038 0.44
145223 026
1554.08 0.06
156038 0.06
1000
£QJ ate
159038 0.11
Mass Spectrum
50
100 150 200
mfe Ratio
250 300
350
400
450
500
mtz
abun
nVi abun
mfe abun
mfe
abun
m*
abun
7335
0.16
144.00 0.18
19630 0.14
325.00
0.09
39635
0.12
108.00
0.17
145.00 0.13
19730 0.14
326.00
0.46
39735
0.50
109.05
0.15
146.00 0.11
25230 030
328.00
0.14
399.95
0.16
12635
0.19
16035 024
254.05 030
39130
0.45
12635
0.17
16135 0.40
25635 0.09
39330
1.00
13135
0.10
16235 027
32135 0.44
39430
0.13
14330
0.12
182.00 0.10
32335 0.72
39530
038
-------
IUPAC Congener No. 180
W^MW-HEPTACSILOROBIPHENYL
CAS No. 35065-29-3
CI CI
Matrix-Isolated Infrared Spectrum
I I I I | 11 vi | i i i
N
i i r
i i i I
i r
"i | i i • i | i i i i | i r
4000 3500 3000 2500
Wavenumber, cm-1
jy
1 r
AjlJI i
2000
1500
T7"
1000
UJ
I I
em-1
afas
em-1
em-1
em-1
674.51
0.17
869.65
0.07
112321
0.15
1337.64
030
693.26
0.19
880.69
0.12
115032
037
1352.17
0.55
731.43
0.10
892.78
0.11
1180.05
022
136637
0.09
80135
032
1066.71
0.41
126830
0.09
141236
1.00
847.18
0.48
1095.69
031
132435
0.17
1469.73
058
mu ate
152834 0.11
Massspectrum
50
nVz abun
73.05 0.17
8335 0.11
108.00 0.21
109.05 0.18
12635 0.20
12635 0.18
143.00 0.14
100
150 200
mfr Ratio
250
300 350 400
JD& B6UD-
144.00 0.18
145.00 0.13
146.00 0.12
161.05 0.26
16135 0.42
16235 0.27
182.00 0.11
nvt ton
252.00 034
254.05 032
32135 052
32335 036
325.00 0.11
326.00 0.54
328.00 0.17
Bft abun.
35835
36035
3924)0
394.00
39530
396.05
397.05
0.17
0.14
0.44
1.00
0.12
0.94
0.12
450
500
mo abuc.
398.05 0.49
39935 0.16
-------
so 00 ro
MUBQiosqy
o o o o
oj $| <8 u{
noi;n
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sgsqgsj
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oooooo
igggSS
w w »• r» r r»
oooooo
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I
i i i r
¦JLbhbJLbbbhLi
a o o o o
Sj$$882K<
o o o *• o d o
»S5^fflg^S|
S * * r: <° "»Si
^ n n «1 r r "»
o o o o o o o
§8£SiS£
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8
8
«•
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ssassijts
0 0 0 0 0 0 0
$83889$
5$?3$SS
Jocjoooo
88S8SSS8
RSSfSSS
80 >0
•9UB|Ninqv1«U
-------
IUPAC Congener No. 182
22%3^4'^.HEPTACHLOROBIPHENYL
CASKa 60145-23-5
CI CI a
Mairte»!solated Infrared Spectrum
i i—i i ji i iij—r~i—j—i | i1 i—r
| i i i | i i i i |
i i i i I i i i i I i i i i I I 1 I I | Mil | i i
4000 3500 3000 2500 2000 1500
Wavenumber, em-1
cm-.l.
ate
em-1
em.1
sm-1
abs
65329
0.05
841.46
024
115429
027 .
1373.45
024
67221
020
86021
024
118127
0.17
1393.69
020
74122
0.05
88323
0.07
1185.14
0.18
1406.47
120
800.70
025
109224
0.13
127124
0.18
145628
0.06
818.75
0.19
112822
028
1349.69
026
1532.66
029
154823 0.42
157026 021
Mass Spectrum
. i.l,ui,hblil. rf.i,
50
Bltt JtiUD.
73.05 0.23
7425 0.13
85.00 0.13
106.00 025
109.05 022
126.05 023
126 55 021
100
150 200
mft Ratio
gfaun
13125
143.00
144.00
145.00
146.00
161.05
16125
0.13
0.16
023
0.15
0.15
020
0.48
250
300
350
400
Oft abun
16225 021
182.10 0.14
252.00 0.41
25425 029
32125 0.58
32325 027
326.00 022
ME BtZUZL
0.19
0.15
029
023
0.45
1.00
027
32820
35625
35825
36025
39220
39420
39625
450
500
mn abun
398.05 020
400.05 0.16
-------
IUPAC Congener No. 183
2£\3,4^5'^HEPrACHLOROBIFHENYL
CAS No. 52663-69-1
Matrix-isolated Infrared Spectrum
CI a
M
r | i i i i { i i i i } t ii i
i i i i \ i i
4000 3500
3000 2500
Wavenumber, cm-1
2000
1500
cm-1
afas
cm-1
cm-1
Bbs
cm-1
lbs
cm-1
flbs
67325
0.10
835.77
0.20
113334
0.49
135733
021
154337
035
69233
038
86633
0.17
1150.40
0.09
1398.49
036
1569.16
024
72938
0.10
889.63
0.14
1180.73
0.18
142420
130
159136
0.05
74334
0.07
1052^49
029
132829
022
1474.05
023
81830
0.27
1095.64
0.46
134936
033
153331
0.15
¦
' ) J.UiJ
, M > 1 ,t,. 1
1 1 1
m
m
50
JllQLajtiSUO.
73.05 025
8335 0.14
106.00 0.31
109.05 026
110.05 0.15
126.05 0.34
12635 0.33
100
150 200
mfz Ratio
250
300
350
400
mm Bbuo.
131.95 0.17
143.00 0.19
144.00 028
145.00 020
146.00 020
161.05 0.43
16135 0.68
tllfii JflMD.
16235 0.45
182.00 0.16
19630 0.17
19730 0.17
25240 0.47
25435 043
32135 033
nVz _fltauzL
32335 1.00
32630 0.66
328.00 020
35835 023
36035 0.17
39130 0.47
39330 1.00
450
500
mfz abun
39530 037
39735 0.53
39935 0.15
-------
IUPAC Congener No. 184
2^*3.4,4* &6'-HEPTACHLOROBIFHENYL
CAS No. 74472-48-3
CI CI CI
Matrix-Isolated Infrared Soectrum
i i i i | i i n j i11 i i | i i i i | i i i i |
CI CI
I I I I I I
M
I I 1 I 1 I I » j I I i
4000 3500 3000
i if
| t i i i | I > I I pl I I I | I
2500 2000 1500 1000
Wavenumber, cro-1
em-1
Btff
em-1
em-1
em-1
653X7
0.09
820.43
0X0
1152.63
0.07
1395X1
0X8
659.43
oxs
859.40
0X9
1179.67
0X0
1413.49
1.00
668X5
0X2
1032.45
0.13
1258X5
0.07
1536X7
0-28
750.16
0.06
109455
0.14
1348X3
0X2
1549X9
0X8
813X2
0X7
1141X1
0X3
1373X3
0X5
1569X6
0.76
jmJ ate
Mass Spectrum
i JAi i.l ill
50
mo aba.
73.05 0.15
83X5 0X9
65.00 0.09
108.00 0.16
109.05 0.14
110.05 0.09
126X5 0.13
100
150 200
mfc Ratio
250
300
350
400
450
500
mst fifailL
126X5
131J9S
143.00
144.00
145.00
146X0
16035
0.12
0.08
0.09
0.13
0.09
0.10
0.17
flift JhBL
16135 026
16235 0.17
182X0 0.08
252.00 024
254X5 023
32135 038
32335 0.60
abun
325X0
326X0
328X0
391X0
393X0
394X0
395X0
0.08
0X9
0.12
0.45
1.00
0.13
0X6
102 fi&UQ.
396.95 0.12
397X5 0X1
399.95 0.17
-------
IUPAC Congener No. 185
2£\3,4^4\6-HEPTAOILOROBIPHENYL
CASNa 52712-05-7
Matrix-Isolated infrared Spectrum
a ci ci
N
©
4000
I I t | I 1 I I \ I I I I | I » I I [ I I I * | I I 1 I | I I
m
3000 2500
Wavenumber, cm-1
CfTVi
em-1
em-1 i
BfaS
cm-1
69021
021
791.05
0.05
1098.76
0.44
133022
022
1408.62
0.49
69529
0.16
81827
022
1136.71
0.06
1347.19
020
147129
027
74024
0.11
906.18
0.19
124528
0.16
1353.64
1.00
1565.46
025
74922
028
104525
026
1275.48
0.07
1361.08
0.78
i
¦
i
t
*
»
, ill, ,i> i i I, i it,. i
i,, ,1...
i i i i
50
73.05 021
74.05 0.12
85.00 0.13
90.60 0.12
106.00 0.22
10925 024
126.05 0.31
100
150 200
irti Ratio
250
300
350
400
an BbUQ.
12625 029
13155 0.1$
143.00 0.17
144.00 028
145.00 0.15
146.00 0.16
160.95 028
"te afaun
16125 0.60
16225 028
18220 0.18
19620 0.18
19720 0.17
25120 0.49
25325 0.46
abun
25525
32125
32325
326.00
32720
35625
35825
0.15
0.62
028
0.61
0.19
0.18
024
450
500
Oft ateo.
360.95 027
391.90 0.45
393.90 1.00
395.90 024
39725 0.49
39925 0.16
-------
IUPAC Congener No. 186
W^A^-HEFTACHIjOROBIPHENYL
CAS No. 74472-49-4
CI o
Malrix-isolated Infrared Spectrum
I
3000 2500
Wavanumber, cm-1
2000
1500
em-1
ate
cm-1
em-1
em-1
68945
0.45
1030.48
0.12
1319.79
0.06
143740
0.47
742.19
042
1085.08
0.13
1328S4
045
155443
0.06
78246
047
119540
0.11
135344
1.00
1565.74
045
797.10
0.42
125844
043
136346
0.63
158549
0.07
87944
0.14
126747
049
138044
045
159144
0.19
cm-1 ate
1594.62 0.18
Mass Spectrum
1
50
afa""
7345 0.13
10840 0.13
10945 0.14
125.95 0.16
12645 0.15
13145 0.09
14340 0.10
100
150 200
mAc Ratio
m* abun
14440 0.17
144.90 0.09
146.00 0.09
161.05 040
16145 042
16245 041
18240 0.11
250
mtt abun
19640 0.11
19740 0.10
25240 040
25445 048
25645 049
32145 0.42
32345 0.67
300
350
400
32540 0.09
32640 0.43
32640 0.14
39140 0.45
39340 1.00
39440 0.13
39540 043
450
500
m atom.
39645 0.12
39745 041
39945 0.17
-------
IUPAC Congener No. 187
W3»4W4-HEPTACHLOROBIPHENYL
CAS No. 52663-68-0
Matrtx-tsolated Infrared Spectrum
k
JW
1
I I 1 1 I I I I 1 i I
3000 2500 2000
Wavenumber, cm-1
cm-1
cm-1
cm-1
em-1
1&5
663.73
0.05
889.42
0.13
1135.16
033
134736
0.06
149039
037
67920
029
906.69
036
115231
0.06
1389.13
0.44
154136
035
741.78
031
103153
0.12
1167.74
037
1398.16
1.00
1554.48
0.10
81738
0.06
1062.07
025
125521
0.09
141331
0.16
159037
023
871.68
0.13
109434
035
133132
025
146839
039
Mass Spectrum
50
100
150 200
mfzRaUo
250
300
350
400
450
500
«iiti abun
73.05 0.15
10830
10935
12555
12635
143X0
144.00
0.17
0.15
0.18
0.17
0.11
0.16
m/it in —jfaup_
14430 0.12
14630 0.11
16035 023
16135 037
16235 023
19630 0.11
19730 0.10
25130 030
25335 029
32135 0.47
32335 0.74
326.00 0.48
32730 0.15
35635 0.14
35835 038
36035 022
39130 0.46
39330 1.00
39430 0.13
39530 034
39635 0.12
lift SfaUTl
39735 031
399.95 0.16
-------
RtL Abundance
0.4 0.8
§§8S8Sg
SsSaafeS®
pgpgpgS
o®^Swo>*
8
8
•A «A «Jk «* «4 «A «kS
f528£fcfc£*
Si Sm«
Rel. Abwnbane*
0.2 0.4 0.6 OA
Ok
w
00
-------
IUPAC Congener No. 189
233*A4*^,-HEFrACHLOROBIPHENYL
CAS No. 39635*31-9
CI C!
Matrix-Isolated infrared Sped rum
ii | | ¦ | | I
TT
T
« I ' 1 1 1 I
1 | I I 1
i r
• i r
1
i
» i i i y
4000 3500
T
3000 2500 2000
Wavenumber.cm-1
em-1
cm-1
cm-1 abs
em-1
6S8.48
0.09
84020
024
1129.73
0.08
1339.77
0.42
668.59
0.08
873.59
0.16
1165:44
020
1382.77
020
70624
0.11
927.67
04)5
118330
0.19
1397.56
020
771J57
0.41
104222
04)7
120023
0X9
1406.65
1X0
81736
052
1051.17
0.09
125750
04)5
144628
0.05
83525
0J0S
108333
0.09
127729
0X7
152459
026
£fiw1 abs
1549457 023
MassSpectTum
i lb i, I >i
SO
mft abun
73.05 0.14
74.05 0.09
63.95 0.11
98 X0 0.10
106.00 0.18
109.05 0.14
110.05 0.08
100
150 200
Ratio
250
300 350 400
pift abun
126.05
12635
131.95
143.00
144.00
145.00
146.00
0.18
0.17
0.08
0.13
0.17
0.12
0.11
161.05 023
16135 026
16235 023
182.10 0X9
252.00 027
254.05 026
2S605 04)8
wtz sfam_
32135
32335
326X0
328.00
392X0
3944)0
3954)0
029
0.62
0.40
0.13
0.46
1.00
0.13
450
500
tnft abun
396.05 033
397.05 0.12
398.05 0.50
400.05 0.16
-------
IUPAC Congener No. 190
233%4,4^,MffiPTAC3njOROBlPHENYL
CAS No. 41411-64-7
Matrtx-tsolated Infrared Soeetaim
I I I I | I I Fl | IT
a ci
2.
4000
li I I ~~l I
3500
a ci
I i i i i i i u I I | I i i
i i | i i i i | i i i i | i
8000 2500 2000
Wavsnumber, cm-1
JL
i i i | i i
1500
JL [ L
I | I I I
1000
Uvi
em-1
cm-1
em-1 i
abs
em-1
cm-1
65750
0.05
796.11
053
1134.73
0.43
1350.80
0.63
147750
0.47
683.45
055
82458
0.11
116358
0.05
1368.42
0.68
1559.42
058
89354
028
80557
0.11
126051
0.16
138051
052
*
731.15
0.89
103858
057
127356
052
138759
059
742.78
055
108054
055
132950
150
140754
055
Mass Spectrum
50
QfikajbUL
73.05 0.12
74J05 058
85.00 0.08
10850 0.13
10955 0.13
12655 0.19
12655 0.18
100
150 200
mft Ratio
250
300
350
400
450
500
lift flbuti
13155 0.10
143.00 0.12
144.00 0.19
145.00 0.11
148.00 0.10
161.05 0.23
16155 055
abun
16255 052
182.10 0.10
19750 058
252.00 0.29
254.05 0.28
25655 0.06
32155 0.41
lift aboti
32355 0.64
32550 0.08
326.00 0.42
32850 0.13
392.00 0.46
39450 1.00
39550 0.13
"ft abun
396.05 053
397.05 0.12
398.05 0.50
39955 0.16
-------
IUPAC Congener No. 191
2,33 '.M^'^-HEPTACrHLOROBIPHENYL
CASNa 74472-50-7
Matrix-Isolated Infrared Spectrum
I II I I I I
o
e
3500
3000
4000
2500
2000
1500
1000
Wavenumber, cm-1
cm-1
cm-1
ato .
cm-1
cm-1
cm-1
ntffi
879.77
0.18
828X3
0X4
1050X9
0.11
1281X1
0.09
1531X9
0.12
710.19
0X2
866X6
0.14
1081.88
0.10
1341.12
0.84
1547.77
0.48
737X8
0.06
878X6
0.10
1140.48
0.14
1373.05
0.16
1568X3
0.12
793.61
0X5
913.41
0.12
1165X9
0X0
1379.73
0X9
1591.16
0X0
805X6
0.09
1030X5
0.14
1180.00
0X7
1405.70
0.62
817X1
0J3
1039X2
0.11
1196.03
0.11
1414X5
1.00
Mass Spectrum
50
100
150 200
mfr Ratio
250
300
350
400
450
500
XQ£
abon
73.05 0.12
8345
98.00
106.00
109.05
110.05
126.05
0.09
0X8
0.14
0.12
0.07
0.15
too.
126.95 0.14
131X5 0.07
143.00 0.11
144.00 0.15
145.00 0.10
146X0 0.09
16035 0.19
mfz
jim.
16155 0X1
16255 0.19
182.00 0X8
251X0 024
253.95 023
321X5 057
323X5 0X2
&Z fifeUIL
325X0 0X8
328X0 0X9
327X0 0.12
391X0 0.45
393X0 1X0
394X0 0.13
395X0 0X6
396X5 0.12
397X5 0X1
399.95 0.16
-------
IUP AC Congener No. 192
233\<5^\6-HEPTACHLOROBIFHENYL
CAS No. 74472-51-8
Matrix-Isolated Infrared Spectrum
o
jJliAJi
4000
3500
3000
2500
2000
1500
1000
Wavenumber, cm-1
em-1
em-1
em-1
cm-1
661.68
0.06
81231
0.34
1102.52
0.13
132737
0.79
1391.79
0.17
672.44
0.05
865.41
025
1122.10
0.19
134937
0.71
1418.72
0.11
680.70
0.06
919.73
021
116439
0.06
1365.70
1.00
156934
0.49
72837
0.65
109035
0.16
1262£9
0.06
1380.19
0.43
Mass Spectrum
i i ,k,m, *
50
9tun
73.05 0.12
74.05 OAS
85.00 0.08
97.00 0j07
108.00 0.12
109.05 0.13
12535 0.15
100
150 200
mte Ratio
250
300
350
400
450
500
12635 0.14
131.95 0.10
143.00 0.11
144.00 0.16
145.00 0.09
146.00 0.09
160J95 0.18
SGLnjbllL
161J95 029
16255 0.18
1824)0 0.09
251.90 027
25335 026
25535 048
32135 0.43
32335 0.70
325.00 0.09
32530 0.45
32730 0.14
39130 0.45
39330 1.00
39430 0.13
intt
395.90 037
396.95 0.12
39735 0.51
39935 0.17
-------
IUPAC Congener No. 193
2^33't4'^^',6-HEPTACHLOROBIPHENYL
CAS No. 69782-91-8
Matrix-Isolated Infrared Spectrum
111!
ci a a
^—C$-
a ci ci
a ci
I i i r i I i i i i | i i t i { i i t i | » i i i | 1 i 1
i i i i | i i i i | i i i i ; i i i i ( i i
J jt
i i r
4000
3500 3000 2500
Wavenumber, cm-1
2000
1500
sod ate
663.40 0.05
694.82 0.08
724.21 0.51
81857 0.39
cm-1 abs
872*2 0.10
87634 0.10
903.86 0.05
1040.83 055
cnvl «bs
1050.07 0.08
1080.44 028
1167JO 0.68
1198.62 0.08
134052 0.07
1373.19 1.00
138852 0.08
1401.50 0.41
1000
cm-1 abs
144253 021
154721 020
Mass Spectrum
50
100
150 200
m/z Ratio
250
300
350
400
450
500
mft abun
73.05 0.14
74.05
8355
98.00
108.00
109.05
110.05
m abun
0.09
0.11
0.10
0.17
0.15
0.08
126.05
12645
13155
143.00
144.00
145.00
146.00
0.17
0.15
0.09
0.12
0.16
0.11
0.11
m abuo.
181.05 020
16155 022
16255 021
18240 0.09
25250 027
25455 026
32155 0.42
eft abun.
32355
325.00
32650
328.00
39150
39350
39450
0.67
0.09
0.43
0.14
0.47
1.00
0.13
IDH BbUL
39550 0.96
39655 0.12
39755 0.52
399.95 017
-------
IUPAC Congener No. 194
-OCTACHLOROBIPHENYL
CAS No. 35694-08-7
ci a
I I I J J 1 I I I 1 I
Matrfx-lsofated Infrared Soectmm
I i i i i ii i iH 1 i
I 1 I I I I I »
1 1 1 I 1 I
3000 2500 2000
Wavenumber, cm-1
em-1
8&5
cm-i
ate
cm-1
68259
020
878X2
0.07
1181X2
0.47
1349X0
058
785X3
0X1
106259
0X6
1278X4
0.10
1365X7
0.07
835.79
020
110252
0.14
132851
0.19
1381.70
0X5
*K9 9Q
0X4
1150X3
0.10
1341X7
0.46
1403.09
1X0
em-1
143420 0X5
Mass Spectrum
JW
50
afaun
73.05 027
83.95 0.16
85.00 0.14
107X0 0.15
108X0 0.47
109X5 027
131J95 0.19
100
150 200
mtz Ratio
250
300
350
400
mft abun
143.00 0.60
144X0 0.78
145.00 0.42
146.00 020
161X5 0.19
177X5 051
178X5 1X0
179X5 0X4
181.00 0.40
213X5 021
214X5 027
215X5 0X8
286X0 0.41
287X0 054
"** afaon
289X0 023
355X5 0.44
357X5 0X8
359X5 0.65
361X5 026
392X0 020
394X0 020
450
500
"ft abun
425X0 028
427X0 0X2
429X0 0.89
431X0 055
433X0 0.18
-------
IUPAC Congener No. 195
2>2,33\4,4*^,6-OCTACHLOROBIPHHNYL
CAS No. 52663-78-2
Ct Ci CI a
a
Matrix-Isolated Infrared Spectrum ® ®
l I 1 I \ I 1 V I l t l i i i i l ' l | I l 1 l | 11 *
l 1 j II l
5 .
i i | i i i I | i i t I |
: aUL —
ii i | i i I i | 1 i i
jLU)
4000
3500
3000 2500
Wavenun&er, cm-1
2000
1500
cm-1
cm-1
cm-1
cm-1
667£0
020
82159
0.18
1246.70
0.06
136757
0.65
695.13
0.49
91559
0.08
1264.56
0.13
137251
1.00
751.14
0.42
110654
0.17
1271.86
021
1384.41
0.74
780.72
0.08
117054
0.17
132829
058
145522
025
806.43
0.71
1185.62
0.18
1350.80
0.81
1546.71
0.09
1000
cm-1 ate
Mass Spectrum
50
m a&o.
108.00 0.21
109.05 0.17
13155 0.13
143.00 035
144.00 0.47
145.00 025
146.00 0.13
100
150 200
ma Ratio
250
300
350
400
450
500
161.05
161.45
177.95
178.95
179.95
181.00
21355
0.12
0.11
0.33
0.64
0.59
027
0.14
n& abuiL
21455 0.19
21555 028
286X0 0J37
288.00 0.48
290.00 023
35555 0.45
35755 0.87
nft flbun
35935 0.68
36155 029
39050 0.12
33250 0.31
39450 0.31
39655 0.15
426.00 0.34
SDH abyiL
428.00 0.89
430.00 1.00
43150 0.64
433.90 024
-------
IUPAC Congener No. 196
Z2,A3'.4.4,I5,t6-OCTAC3!LOROBIPHENYL
CAS No. 42740-50-1
o ci a a
Matrfx-tsobtsd Infrared Soectitini
" 1 i l 1 | t l lrl | t 1 1 1 | i I 1 1 | 1 1 I < |
CI CI
I i I | I 1
CM
juJUJU i
Luu
4000
T • 1 •
3500
| I i i i | i I i i
3000 2500
Wavenumber, cm-1
| * i i i [ i i r
2000 1500
I ' ' 1
1000
AIM ,
em-1 abs
em-1
sm-1 ,
fife
655X2
0.12
826.68 0X0
1113.79
0.12
1341.64
0.49
661.48
0.16
850X7 0X0
1158X8
0.07
1350.01
0.42
-694X2
0.10
865.60 0.12
1169.08
0.05
1360X6
0X6
73455
0.10
102949 0.05
1181.75
0X0
1378.08
0.05
802X4
0.40
1033S7 0X5
1261.17
0.06
1385.72
0X1
816X9
0.11
1075.17 0.10
1335.66
0X4
1402.43
1.00
sstl flfes.
1445X1 0.13
1535X0 0.19
156526 0.16
1580J3 0.09
1590.60 0.11
Mass Spectrum
50
lift ¦ J&IBL
73.05 0.14
106.00 025
109.05 0.16
131.95 0.12
143X0 028
144^0 0.36
145X0 021
100
150 200
mfc Ratio
250
300
350
400
450
500
mft jtesL
146.00 0.12
177X5 026
17855 0.49
17955 0.47
181.00 0.21
213X5 0.13
214X5 0.17
215X5 023
286X0 0X1
288X0 040
290X0 0.19
355X5 043
357X5 0X1
359X5 0X5
afaun
361X5
390X0
392X0
394X0
396X5
426X0
428X0
028
0.12
028
027
0.14
0X6
0X2
429.00
430X0
431.00
432.00
433X0
0.12
1X0
0.13
0X5
026
-------
IUPAC Congener No. 197
2^'33,,4,4\6,6,-OCTACHLOROBIPHENYL
CAS No. 33091-17-7
ct a ci a
a
Matrix-Isolated Infrared Soectrum
l l I > j l l iri j l l 1 I | l I I » j l l I l |
O CI
1 I I I 1 I I
N
. iffli. I
if
« i i i | i i i j |M i i | i t 1 i { i i i i |
4000 3500 3000 2500 2000 1500
Wav®numb«r, cm-1
em-1
sto
cm-1 Sbs
em-1 i
abs
cm-1
Sto
660.03
0.12
841.75 052
115655
0.19
135652
054
692.13
0.10
864.64 053
1170.68
0.09
1380.17
0.17
74955
0.05
105553 0.07
118058
055
140355
150
81355
0.63
1062.61 0.06
1336.15
0.49
1535.62
053
826.00
057
112858 0.15
1340.07
0.48
1564.41
057
¦£
c
Mass Spectrum
50
fTVl fl&WI
73.05 0.13
8355 0.10
107.00 0.08
10S.00 051
109.05 0.14
120.05 0.08
13155 0.10
100
150 200
mfe Ratio
250
300
350
400
450
500
bsh atao.
143.00 022
144.00 059
145.00 0.17
146.00 0.10
17755 0.21
178.95 0.37
17955 0.35
mH flfaffi-
181-00 0.16
21355 0.12
21455 0.16
21555 050
21755 0.08
286.00 055
288.00 052
OH BfeUL
290.00 0.15
35555 052
35755 0.62
35855 0.08
35955 050
36155 051
426.00 056
«bun
428.00 0.89
429.00 0.12
430.00 1.00
431.00 0.13
432.00 0.63
434.00 055
-------
IUPAC Congener No. 198
W33',4^^'^-OCrACHLOROBIPHENYL
CAS No. 68194-17-2
a a a a
a-$-^
Matrix-Isolated infrared Spectrum
' l 1 l 1 { I l 11 | 1 I I l | I I
a a a
i { i i i i I ij < i i I i i i
3
11 il
i i i i I i i i
4000 3500
I | i I i I J i < i i f i I i
3000 2500 2000 1500
Wavenumbcr, cm-1
cm-1
cm-1
cm-1
em-1
690.71
0X0
869X7
0.18
1174.41
0.05
1360X2
1.00
748X5
0.40
925X9
0.15
1269.77
0.09
1392X5
0.10
781X6
0X9
1052X5
0.16
1331.10
0X0
1401X4
0.46
832X0
0.12
1104.65
0X6
1347.18
0.10
1433X2
0.07
840X9
0X7
1128.15
0X8
1353X3
0X3
1559X2
0X9
cm-1 ijte
Mass Spectrum
50
atssL
73X5 0.19
90.10 0.16
108.00 0X2
109.05 0.25
131X5 0.18
143X0 0.49
144.00 0.6G
100 150 200
mte Ratio
mti afaun
145.00 035
146X0 020
161X5 0.18
161.55 0.16
177X5 0.44
178X5 0X5
179X5 0X0
300
350
400
450
500
mft tbiffL
181.00
213X5
214X5
215X5
286.00
288.00
290.00
037
0X5
0X0
0.40
0.47
0X9
0X9
nft flhw.
355X5
357X5
359X5
361X5
390X0
392X0
394X0
0X1
0X7
0.76
0X3
0.16
0X8
0X7
lift 8bUQ.
396.95 0.18
426.00 0X5
428.00 0X2
430.00 1.00
432.00 0X2
433X0 0X5
-------
fit6288f
fes^isfegs
poopppP
l>t Ll k) '•* U dt M
to X in o ¦* o> °
M M »• •* -* ¦» «*
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is£lglsig&&
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tes
s
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8
8
8
Rel. Abundance
0.4 0.8
r1 ¦> i—r
g
rami
iafetefe jife
o o o o o o
i3gi3tS3S
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I
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a a ^ «a|a
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fcfcsfesfe
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mm, mm mm mm mm
zmu
fefefefcissi!
o -* © o o o
wowbolo
•* O -» >1 >1 >1
op
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Rel. Abeotbanoe
0.2
0.4
0.6
0.8
a.
0
Q
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-------
SSSSSi$
SSlSfegS
O O O O Q P
iiilii
ooeeoo
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«p © p
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fffl. Abimdanoe
0.4 0.8
i i »
-------
mA mJk mk mJk mA mA _ « 3
sgg^ags
o o o o o o P
12 5533^1
ui*>u-*op<^ N
0000000
S.h»«.
SSllSiRiSgS
0000000
s&sfisfci!
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susssss
0000000
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sisiS
o o o «*
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02 0.4 0.6 0.8
a.
§
o
-------
IUPAC Congener No. 202
la^^JU'M'-OCrACHlJOROBWHBNYL
CAS No. 2136-99-4
CI O
ci a
Matrix-isolated Infrared Spectrum
I I * I I I II Fl I I 1
I
i1 j" i i i i |~
3000 2500 2000
Wtvenuraber,cm-1
68028 0-21
692.66 0.06
760X5 0J3
fiZl=3 BfeS
872.17 0.25
1066X1 0M
1073.61 0.78
«n-1 «bs
1169.05 0.64
1241X2 0.05
1331X3 0X1
ats at&
1351X0 0.08
1362X1 023
1390.06 0.27
""•1
140636 1.00
1546-41 0.08
Mass Spectrum
50
uto sbnL
73.05 0.10
108.00 0.18
109.05 0.12
131.95 0X8
143.00 0.22
144 XX) 0.29
100
150 200
mfz Ratio
250
300
350
400
450
500
JDH SfeSL
1454)0 0.16
146X0 0.09
177:95 0.22
178X5 0.40
179X5 057
181X0 0.17
213X5 0.16
214X5 0.19
215X5 023
286X0 024
287X0 0X2
289X0 0.14
OH fibUD.
355X5 0X1
357X5 0.62
359X5 0X0
361X5 020
425X0 0X5
427X0 0X8
Wtt fl&UH
428X0 0.12
429X0 1.00
430X0 0.13
431X0 0.63
433X0 025
-------
fcfi2888g*
s&isSasS
o o o o o o P
feisis'-isis"
i!igSllp
o o o o o o o
stjfefcbtisis
I,
p §
sag
«l* w
& «£ S i> S & &
o o o o o o o
££jif §Sis^
fc8gS8fefc
ooooooo
aabUdltiR
•*MS.n»Mik
Rel. Abundance
0.4 0.8
8
8
8
8 "
8888
oeo^
& R n 8
feisas&fe
o o o o o o 2.
^«nla88 m
09 IB
§53!3S§
ooPPPP
fc&aSftg
«fc *0> «A wJk «A mA Kl
SgSSSsB
88fe2iS(3
pppppp
siss^s
Pllll
a tik g is is I
eoe^eo
«A|n
ssaip
iSiifetK
e o o o !
R«t. Abmitoance
0.4 0.6 0.8
8
E
-------
IUPAC Congener No. 204
2£*3,4,4\5,6,6,-OCrACHLOROBIFHENYL
CAS No. 74472-52-9
Matrlx-lsoteted Infrared Spectrum
VI W M
4000
I I | I I
Pi
I i § i i l i i i i I i i 'i § |
3000 2500 2000 1500
Wavanumber. cm-1
1000
abs
em-1
tbz
fiffhl
em-1
S&S.
680.38
0.13
859.71
028
1263.74
0.18
137333
0.43
68733
0.46
114925
021
1322.16
0-06
138731
028
76234
0.13
118635
037
1331.10
0.72
146036
0.14
80529
0.12
125130
035
135320
0JB3'
1550.06
0.64
81733
037
125837
020
1365.73
1X0
1587.18
0.44
SQd ate
1597.39 0.06
II
50
afaon
734)5 0.14
90.10 0.12
10830 0.20
109.05 0.19
120.05 0.11
131.95 0.11
14330 028
100
150 200
mte Ratio
250
300
350
400
450
500
«bun
144.00 0.41
145.00 0.23
143.00 0.14
161.05 0.10
161.55 0.10
177j95 028
17835 052
mn Bbun.
17955 047
181.00 022
21335 0.18
21435 021
21535 028
21735 0.11
288.00 0.33
afaon
2884)0 0.42
2904)0 0.19
35535 0.36
35735 0.89
35935 0S7
36135 024
42630 0.37
raft abun
428.00 030
429.00 0.11
430.00 1.00
431.00 0.12
432.00 0.65
434.00 025
-------
IUPAC Congener No. 205
233\4,4\5£\6-OCTACHLOROBIPHENYL
CAS No. 74472-53-0
Matrix-Isolated Infrared Spectrum
ci a a
a ci ci
a ci
¦ i
iiji
• i i | 1 I 1 1 J 1 1
IIJI
1 1 1 | I
2«
I CD
|o"
i 5-
cu
e *
uLl
1 1"
1 1 J 1
iiijiillj'll
i . I .
1 • 1 1 1
4000
3500
3000 2500
2000
1500
Wavenumber, cm-1
on-1
65355
0.06
876.49 0.06 1171.64
0.16
1370.02 1.00
69741
057
930.17 0.05 1199.42
0.10
138356 052
72729
0.48
105027 056 1262.70
0.10
1444.72 056
79736
0.16
109430 055 1327.52
0.66
1545.19 0.16
82034
034
1155.10 0.14 134937
0.46
154853 0.19
UlJUL
159238 0.08
Mass Spectrum
50
100
150 200
mfe Ratio
250
300
350
400
tnft abun
7355
8355
10850
109.05
13155
143.00
144X0
0.11
0.11
0.17
0.14
0.12
0.25
033
nvz —jtfauD-
145.00 0.18
146.00 0.10
16155 0.10
177.95 020
17855 039
179.95 0.37
181X0 0.17
mft —BbuiL
21355 0.10
21455 0.13
21555 0.19
28650 027
288.00 0.33
29050 0.16
35555 035
35755
35955
36155
42650
428.00
429.00
43050
0.67
0.52
022
036
052
0.12
1.00
450
500
nV% atom
431.00 0.13
432.00 0.63
434.00 026
-------
TUPAC Congener No. 206
2^\33\4.4*,5,5\6-NONACHOLROBIPHENYL
CAS No. 40186-72-9
ci a ci a
Matrfx-fsoteted Infrared Spectrum
1.1 I I | I I II | I I 1 1 ( I l
ct a a
I I I 1 I I I I II ' I I I I I '
So-
I II 1 I
4000 3500
I I > I I \ I I I I j I I I
3000 2500 2000
Wavenumbfir, cm-1
cm-1
,abs
cm-1
em-1
em-1 _
660.73
0.08
84825
023
118739
0.07
135438
038
69936
0.18
108533
0.06
126731
0.06
137836
130
74731
021
111927
038
133128
033
1395.47
038
80532
027
118037
0.11
134132
032
142833
036
snJ Ite
MassSpectrum
i
liill
ii
A
50
90.00 024
10730 0.30
106.00 0.41
11935 021
13135 023
142.10 021
143.10 0.31
100
150 200
tnfe Ratio
250
300
350
400
450
500
m tbm.
14430 037
16035 0.47
16035 0.76
16135 0.47
17935 032
195.00 0.41
19530 130
flltt—JfltilUL
19630 034
19730 049
23130 023
23130 031
233.00 023
25030 026
25130 025
inlit — jfaffl.
31935 038
32135 036
32335 0.40
38930 035
39130 030
39330 0.77
39530 037
mft abun
42630 022
42830 025
46135 0.72
463.95 032
46535 0.69
46730 029
-------
•* a a a a *4 «a
288*633
isisisSaSs
*
ooopope J
U lo U •* q 3
ui^uiuSuo 3
IS M at •< rf •* •> 3
S8388S3*
SSSssss
0 0 0 0 0 0 0
U U UtiUUU
0>Ms|Q*> in
imsiR
3 fcliSiS *3
eoe^e
SRSSfe
9 G
S
P - *
s
-------
IUPAC Congener Na 208
^^^'.WAS'-NONACHLOROBIPHENYL
CAS No. 52663-77-1
ci a a a
Mafrtx-teofated Infrared SDectium
¦III* | I l. l I | i
ci a a
i i I i i i i I ni i i I i i i
3000 2S00
Wavenumber, cm-1
em-1
cm-1
abs
- cm-1
ate
fflbJ i
^2^
69139
034
87259
0.09
117035
030
136330
034
75945
030
92755
0.19
117854
0.05
1394.77
0.18
76232
032
107430
0.10
133837
034
140933
038
78331
036
108237
038
1343.03
1.00
1421.19
0.07
MassSpectrum
SO
lift atwn
90.00 0.15
107.00 0,18
108jOO 033
13155 0.14
142.10 0.15
143.10 0.19
144.00 0.23
.iuUiJ,!, t I,t I.
100
150 200
mft Ratio
mn ata/n
159:95 026
16035 0.43
16135 027
17935 0.19
19430 026
19530 058
19630 056
250
OH abun
19730 039
23030 031
23130 038
23230 031
24930 0.19
25130 0.19
31935 030
300
350
400
32135 0.48
32335 031
38930 031
39130 038
39330 0.64
39530 035
45935 038
450
500
46135 030
46335 1.00
46535 0.73
46730 036
-------
IUPAC Congener No. 209
22'£2\4A'£ JS ",6,6*-DECACHLOROBIPHENYL
CAS No. 2051-24-3
l l l | I 1 I
CM
i I i i i i ! 1 1 t 1 | II
4000 3500 3000 2500
Wavenumber, em-1
r-r-TT
2000
f
JL
1500
i r
i r
I
1000
em-1 atos
658.61 0.06
G9638 0.17
cnvl abs
76030 0.16
829.39 029
Bfr1 i-JiiiL
1093.60 0.05
1328.30 020
tm-1 - ate.
1345.49 1.00
1359.13 0.09
iflWr 1 —jtcL
136432 026
MassSpectym
Li
50
mfe «faun
10730 025
108 JO 020
142.00 023
14330 027
144.00 026
160.45 0.19
17655 023
100
150 200
m/z Ratio
250
300
350
400
450
500
«"* abun
17735 0.49
17835 028
17935 0.15
21135 0.18
21235 0.53
21335 0.75
21435 0.40
21535 024
24730 0.17
24830 021
24930 022
25030 0.15
28330 0.14
28530 0.19
35335 0.18
35535 0.39
35725 020
42330 0.17
42530 0.50
42730 0.55
42930 0.35
an abun
49335 0.18
49535 0.71
49735 1.00
49935 0.84
50135 0.46
503.85 0.14
-------
TECHNICAL REPORT DATA
(rieese read Inunctions on the reverse before completing)
—
1. REPORT NO. . 2,
E PA/(*oo/£ - 9l /oosl
3. RECH
4. TITLE AND SUBTITLE
The Matrix-Isolation Infrared and Low-Resolution Mass
Spectra of the 209 Polychlorobiphenyl Congeners
5. REPORT DATE
F'&brcmr-y 199 (o
6. PERFORMING ORGANIZATION CODE
EPA
7. AUTMORtS)
Don Miller, Harry Kimball, Terry Crone, and
Billy J. Fairless
B. PERFORMING ORGANIZATION REPORT NO.
9. performing ORGANIZATION name and address
U.S. Environmental Protection Agency
Region 7
25 Funston Road
Kansas City, KS 66115
10. PROGRAM ELEMENT fciO.
11. CONTRACT/GRANT NO.
12. SPONSORING AGENCY NAME AND ADDRESS
Atmospheric Research and Exposure Assessment Lab - RTP
Office of Research and Development
U.S. Environmental Protection Agency
Research Triangle Park, NC 27711
13. TYPE OF REPORT AND PERIOD COVERED
14. SPONSORING AGENCY CODE
EPA/600/09
15. SUPPLEMENTARY NOTES
16. ABSTRACT
There are 209 individual polychlorobiphenyls (PCBs), or congeners, that are derived
from the commercial manufacture of polychlorinated biphenyl mixtures, such as the
Aroclors. Although commercial production of PCBs in the United States ceased in
1977, they persist in the environment. Analytical reference spectra are needed for
all 209 congeners in order to better interpret environmental monitoring data and
assess potential risks to human health. The purpose of this report is to provide a
reference library that may be used for the qualitative confirmation of individual
PCB congeners observed in the human and environmental samples.
17. KEY WORDS AND DOCUMENT ANALYSIS
». DESCRIPTORS
b. IDENTIFIERS/OPEN ENDED TERMS
c. COS ATI Field/Group
18. DISTRIBUTION STATEMENT
Release to Public
16. SECURITY CLASS (Ttus Report J
Unclassified
ai.NO. OF PAGES
©2 <2- V
20. SECURITY CLASS (THispcft}
Unclassified
23. PRICE
CPA 9mm 2220-1 (R»». 4-77) previous edition is obsolete
------- |