Bandlist 94 94

Absorption band list of SO2 in natural solid SO2 (phase I)

Title
Absorption band list of SO2 in natural solid SO2 (phase I)
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Data
Individual bands
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Representation
Simple
Gaussian
Peaks
Data
Unit:  Range: Valid spectral range(s): 500.0 - 5050.0 cm-1
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Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2021): Absorption band list of SO2 in natural solid SO2 (phase I). Version 1. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_ABS_SO2_SO2-I
Publication(s)
Data publication(s)
Type
absorption
Description
FIR-MIR-NIR absorption band list of SO2 in natural solid SO2 (phase I) at 20, 90 and 125 K
Number of bands
94
Parent spectra
Constituent and primary specie
Constituent
SO2 - phase I
Primary specie
SO2 (Sulfur dioxide)
Bands
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
67 ± 1 67 ± 1 unknown
νTy (B1)
translation
32S16O2
no
80 ± 1 80 ± 1 unknown
νLy (B1)
libration
32S16O2
no
86 ± 2 86 ± 2 unknown
νLy (B2)
libration
32S16O2
no
102.5 ± 1 102.5 ± 1 unknown
νTx (B2)
translation
32S16O2
no
138 ± 1 138 ± 1 unknown
νLx (B2)
libration
32S16O2
no
159 ± 3 159 ± 3 unknown
νLx (B1)
libration
32S16O2
no
514 ± 0.3 514 ± 0.3 m
ν2
bending
34S16O2
34S16O2
no
516.5 ± 0.3 516.5 ± 0.3 1.3 ± 0.3 0.015 m
ν2
bending
33S16O2
33S16O2
no
521.5 ± 0.5 521.5 ± 0.5 2.2 ± 0.2 0.46 vs
ν2 (A1(TO))
bending
32S16O2
32S16O2
no
522.5 ± 0.3 522.5 ± 0.3 s
ν2 (A2?)
bending
32S16O2
32S16O2
no
532 ± 2 532 ± 2 s
ν2 (A1(LO))
bending
32S16O2
32S16O2
no
1099 ± 0.3 1099 ± 0.3 vvw
ν1
stretching sym.
=32S=18O
32S18O2
no
1113 ± 0.3 1113 ± 0.3 6.0e-04 w
ν1
stretching sym.
=34S=18O
34S16O18O
no
1120.5 ± 0.3 1120.5 ± 0.3 1.3 ± 0.1 0.018 m
ν1
stretching sym.
=32S=18O
32S16O18O
no
1134.5 ± 0.5 1134.5 ± 0.5 1.2 ± 0.3 0.005 m
ν1
stretching sym.
=32S=17O
32S16O17O
no
1140 ± 0.5 1140 ± 0.5 1.5 ± 0.1 0.425 vs
ν1
stretching sym.
=34S=16O
34S16O2
no
1143 ± 1 1143 ± 1 1.2 ± 0.7 0.78 vs
ν1 (A1(TO))
stretching sym.
=32S=16O
32S16O2
no
1149 ± 1 1149 ± 1 6 ± 2 0.4 vs
ν1 (A1(LO))
stretching sym.
=32S=16O
32S16O2
no
1281 ± 0.3 1281 ± 0.3 ew
ν3
stretching asym.
=32S=18O
32S18O2
no
1288 ± 0.5 1288 ± 0.5 0.002 ± 0.001 ew
ν3
stretching asym.
=36S=16O
36S16O2
no
1302.8 ± 0.4 1302.8 ± 0.4 vs
ν3
stretching asym.
=32S=18O
32S16O18O
no
1304.3 ± 0.3 1304.3 ± 0.3 0.63 vs
ν3
stretching asym.
=34S=16O
34S16O2
no
1310.5 ± 0.8 1310.5 ± 0.8 3.5 ± 0.7 1 vs
ν3 (B1(TO))
stretching asym.
=32S=16O
32S16O2
no
1322.5 ± 1 1322.5 ± 1 3 ± 0.5 1.01 vs
ν3 (B2(TO))
stretching asym.
=32S=16O
32S16O2
no
1328 ± 1 1328 ± 1 s
ν3
stretching asym.
=34S=16O
34S16O2
no
1341 ± 4 1341 ± 4 15 ± 4 0.5 vs
ν3 (B1(LO))
ν3 (B2(LO))
stretching asym.
stretching asym.
=32S=16O
=32S=16O
32S16O2
32S16O2
no
no

1611.3 ± 0.3 1611.3 ± 0.3 vvw
ν1+ν2
stretching sym.
bending
=32S=16O
32S16O2
32S16O2
no
1850 ± 0.5 1850 ± 0.5 ew
ν2+ν3
bending
stretching asym.
32S16O2
=32S=16O
32S16O2
no
2217.5 ± 0.3 2217.5 ± 0.3 2.1 ± 0.2 0.15 ± 0.03 vvw
2ν1
stretching sym.
=34S=18O
34S16O18O
no
2233.5 ± 0.3 2233.5 ± 0.3 2.1 ± 0.1 2.55 ± 0.1 w
2ν1
stretching sym.
=32S=18O
32S16O18O
no
2244.8 ± 0.3 2244.8 ± 0.3 2.5 ± 0.5 0.04 ± 0.01 vvw
2ν1
stretching sym.
=34S=17O
34S16O17O
no
2261 ± 0.3 2261 ± 0.3 2.1 ± 0.1 0.65 ± 0.05 vw
2ν1
stretching sym.
=32S=17O
32S16O17O
no
2273.8 ± 0.3 2273.8 ± 0.3 2.1 ± 0.2 10 ± 0.5 w
2ν1
stretching sym.
=34S=16O
34S16O2
no
2281 ± 0.3 2281 ± 0.3 2 ± 0.4 1.5 ± 0.3 vw
2ν1
stretching sym.
=33S=16O
33S16O2
no
2287.5 ± 0.5 2287.5 ± 0.5 4.6 ± 0.2 147 ± 10 m
2ν1
stretching sym.
=32S=16O
32S16O2
no
2301 ± 2 2301 ± 2 13 ± 3 w
2ν1+νL,T
stretching sym.
translation
libration
=32S=16O
32S16O2

2413 ± 0.3 2413 ± 0.3 2.4 ± 0.2 9 ± 1 w
ν1+ν3
stretching sym.
stretching asym.
=32S=18O
=32S=18O
32S16O18O
no
2434.5 ± 0.3 2434.5 ± 0.3 3.2 ± 0.2 75 ± 5 m
ν1+ν3
stretching sym.
stretching asym.
=34S=16O
=34S=16O
34S16O2
no
2445.3 ± 0.5 2445.3 ± 0.5 8 ± 1 w
ν1+ν3
stretching sym.
stretching asym.
=33S=16O
=33S=16O
33S16O2
no
2457 ± 0.3 2457 ± 0.3 6.3 ± 0.3 550 ± 25 s
ν1+ν3
stretching sym.
stretching asym.
=32S=16O
=32S=16O
32S16O2
no
2473 ± 2 2473 ± 2 13 ± 3 w
ν1+ν3+νL,T
stretching sym.
stretching asym.
translation
libration
=32S=16O
=32S=16O
32S16O2

2516 ± 1 2516 ± 1 3 ± 0.2 w
ν1+ν3+νL,T
stretching sym.
stretching asym.
translation
libration
=32S=16O
=32S=16O
32S16O2

2531 ± 3 2531 ± 3 3 ± 0.2 w
ν1+ν3+νL,T
stretching sym.
stretching asym.
translation
libration
=32S=16O
=32S=16O
32S16O2

2547.5 ± 1 2547.5 ± 1 3.2 ± 0.2 w
ν1+ν3+νL,T
stretching sym.
stretching asym.
translation
libration
=32S=16O
=32S=16O
32S16O2

2598.5 ± 0.3 2598.5 ± 0.3 1.4 ± 0.1 0.5 ± 0.05 vw
2ν3?
stretching asym.
=32S=18O
32S16O18O
no
2602.7 ± 0.3 2602.7 ± 0.3 1.6 ± 0.2 0.35 ± 0.05 vw
2ν3?
stretching asym.
=34S=16O
34S16O2
no
2628 ± 0.5 2628 ± 0.5 4 ± 1 0.3 ± 0.05 vw
2ν3 (B1(TO))?
stretching asym.
=32S=16O
32S16O2
no
2646.5 ± 0.3 2646.5 ± 0.3 9.9 ± 0.3 5.2 ± 0.1 w
2ν3 (B2(TO))?
stretching asym.
=32S=16O
32S16O2
no
2680 ± 10 2680 ± 10 0.6 ± 0.2 vw
2ν3+νL,T
stretching asym.
translation
libration
=32S=16O
32S16O2

2725 ± 2 2725 ± 2 0.2 ± 0.05 vw
2ν3+νL,T
stretching asym.
translation
libration
=32S=16O
32S16O2

2744 ± 0.3 2744 ± 0.3 1.2 ± 0.2 0.02 ± 0.005 vvw
2ν1+ν2
stretching sym.
bending
=32S=18O
32S16O18O
32S16O18O
no
2790.5 ± 0.3 2790.5 ± 0.3 1.2 ± 0.2 0.16 ± 0.01 vvw
2ν1+ν2
stretching sym.
bending
=34S=16O
34S16O2
34S16O2
no
2799.3 ± 0.3 2799.3 ± 0.3 1.3 ± 0.2 0.03 ± 0.005 vvw
2ν1+ν2
stretching sym.
bending
=33S=16O
33S16O2
33S16O2
no
2808.5 ± 0.3 2808.5 ± 0.3 2.4 ± 0.2 1.08 ± 0.05 vw
2ν1+ν2
stretching sym.
bending
=32S=16O
32S16O2
32S16O2
no
2815 ± 5 2815 ± 5 0.1 ± 0.03 vvw
2ν1+ν2+νL,T
stretching sym.
bending
translation
libration
=32S=16O
32S16O2
32S16O2

2821 ± 1 2821 ± 1 0.2 ± 0.1 vw
2ν1+ν2+νL,T
stretching sym.
bending
translation
libration
=32S=16O
32S16O2
32S16O2

2950 ± 0.3 2950 ± 0.3 1.6 ± 0.2 0.024 ± 0.002 vvw
ν1+ν2+ν3
stretching sym.
bending
stretching asym.
=34S=16O
34S16O2
=34S=16O
34S16O2
no
2962.5 ± 0.3 2962.5 ± 0.3 1.7 ± 0.3 0.007 ± 0.001 ew
ν1+ν2+ν3
stretching sym.
bending
stretching asym.
=33S=16O
33S16O2
=33S=16O
33S16O2
no
2976 ± 0.5 2976 ± 0.5 2.2 ± 0.2 0.33 ± 0.02 vw
ν1+ν2+ν3
stretching sym.
bending
stretching asym.
=32S=16O
32S16O2
=32S=16O
32S16O2
no
2987 ± 0.5 2987 ± 0.5 0.007 ± 0.002 ew
ν1+ν2ν3+νL,T
stretching sym.
bending
stretching asym.
translation
libration
=32S=16O
32S16O2
=32S=16O
32S16O2

2993 ± 0.3 2993 ± 0.3 0.015 ± 0.005 ew
ν1+ν2ν3+νL,T
stretching sym.
bending
stretching asym.
translation
libration
=32S=16O
32S16O2
=32S=16O
32S16O2

3004 ± 0.5 3004 ± 0.5 0.035 ± 0.01 vvw
ν1+ν2ν3+νL,T
stretching sym.
bending
stretching asym.
translation
libration
=32S=16O
32S16O2
=32S=16O
32S16O2

3010.5 ± 0.5 3010.5 ± 0.5 0.034 ± 0.02 vvw
ν1+ν2ν3+νL,T
stretching sym.
bending
stretching asym.
translation
libration
=32S=16O
32S16O2
=32S=16O
32S16O2

3399.8 ± 0.3 3399.8 ± 0.3 1.3 ± 0.1 0.21 ± 0.02 vw
3ν1
stretching sym.
=34S=16O
34S16O2
no
3410.5 ± 0.3 3410.5 ± 0.3 1.4 ± 0.2 0.045 ± 0.005 vvw
3ν1
stretching sym.
=33S=16O
33S16O2
no
3421.5 ± 0.3 3421.5 ± 0.3 1.8 ± 0.1 1.4 ± 0.1 vw
3ν1
stretching sym.
=32S=16O
32S16O2
no
3428.5 ± 0.3 3428.5 ± 0.3 0.065 ± 0.01 vvw
3ν1+νL,T
stretching sym.
translation
libration
=32S=16O
32S16O2

3432 ± 0.5 3432 ± 0.5 0.07 ± 0.01 vvw
3ν1+νL,T
stretching sym.
translation
libration
=32S=16O
32S16O2

3437 ± 0.3 3437 ± 0.3 0.095 ± 0.005 vvw
3ν1+νL,T
stretching sym.
translation
libration
=32S=16O
32S16O2

3440 ± 0.5 3440 ± 0.5 0.034 ± 0.02 vvw
3ν1+νL,T
stretching sym.
translation
libration
=32S=16O
32S16O2

3514 ± 0.3 3514 ± 0.3 1.6 ± 0.1 0.15 ± 0.01 vvw
2ν1+ν3
stretching sym.
stretching asym.
=32S=18O
=32S=18O
32S16O18O
no
3554 ± 0.3 3554 ± 0.3 1.6 ± 0.2 1 ± 0.05 vw
2ν1+ν3
stretching sym.
stretching asym.
=34S=16O
=34S=16O
34S16O2
no
3569 ± 0.3 3569 ± 0.3 1.8 ± 0.2 0.22 ± 0.03 vw
2ν1+ν3
stretching sym.
stretching asym.
=33S=16O
=33S=16O
33S16O2
no
3584.2 ± 0.3 3584.2 ± 0.3 1.7 ± 0.1 16 ± 0.5 w
2ν1+ν3
stretching sym.
stretching asym.
=32S=16O
=32S=16O
32S16O2
no
3593 ± 0.3 3593 ± 0.3 0.53 ± 0.1 vw
2ν1+ν3+νL,T
stretching sym.
stretching asym.
translation
libration
=32S=16O
=32S=16O
32S16O2

3600.8 ± 0.3 3600.8 ± 0.3 0.34 ± 0.05 vw
2ν1+ν3+νL,T
stretching sym.
stretching asym.
translation
libration
=32S=16O
=32S=16O
32S16O2

3605 ± 0.3 3605 ± 0.3 0.35 ± 0.05 vw
2ν1+ν3+νL,T
stretching sym.
stretching asym.
translation
libration
=32S=16O
=32S=16O
32S16O2

3615.5 ± 1 3615.5 ± 1 0.19 ± 0.05 vvw
2ν1+ν3+νL,T
stretching sym.
stretching asym.
translation
libration
=32S=16O
=32S=16O
32S16O2

3756 ± 0.3 3756 ± 0.3 1.7 ± 0.1 0.2 ± 0.02 vvw
ν1+2ν3
stretching sym.
stretching asym.
=32S=16O
=32S=16O
32S16O2
no
3761.5 ± 0.5 3761.5 ± 0.5 0.021 ± 0.005 vvw
ν1+2ν3+νL,T
stretching sym.
stretching asym.
translation
libration
=32S=16O
=32S=16O
32S16O2

3781 ± 1 3781 ± 1 0.04 ± 0.005 vvw
ν1+2ν3+νL,T
stretching sym.
stretching asym.
translation
libration
=32S=16O
=32S=16O
32S16O2

3791.5 ± 0.5 3791.5 ± 0.5 0.025 ± 0.01 vvw
ν1+2ν3+νL,T
stretching sym.
stretching asym.
translation
libration
=32S=16O
=32S=16O
32S16O2

3805 ± 1 3805 ± 1 0.005 ± 0.002 ew
ν1+2ν3+νL,T
stretching sym.
stretching asym.
translation
libration
=32S=16O
=32S=16O
32S16O2

3883 ± 0.3 3883 ± 0.3 1.6 ± 0.1 0.04 ± 0.005 vvw
3ν3
stretching asym.
=32S=18O
32S16O18O
no
3890.5 ± 0.3 3890.5 ± 0.3 1.9 ± 0.1 0.375 ± 0.02 vw
3ν3
stretching asym.
=34S=16O
34S16O2
no
3913 ± 0.3 3913 ± 0.3 1.8 ± 0.2 0.07 ± 0.01 vvw
3ν3
stretching asym.
=33S=16O
33S16O2
no
3936.3 ± 0.3 3936.3 ± 0.3 5.5 ± 0.3 2.45 ± 0.05 w
3ν3
stretching asym.
=32S=16O
32S16O2
no
3943 ± 1 3943 ± 1 0.6 ± 0.5 vw
3ν3+νL,T
stretching asym.
translation
libration
=32S=16O
32S16O2

3957.3 ± 0.3 3957.3 ± 0.3 0.25 ± 0.1 vw
3ν3+νL,T
stretching asym.
translation
libration
=32S=16O
32S16O2

4101.5 ± 0.3 4101.5 ± 0.3 1.5 ± 0.1 0.03 ± 0.003 vvw
2ν1+ν2+ν3
stretching sym.
bending
stretching asym.
=32S=16O
32S16O2
=32S=16O
32S16O2
no
4547.5 ± 0.3 4547.5 ± 0.3 1.6 ± 0.2 0.014 ± 0.003 ew
4ν1
stretching sym.
=32S=16O
32S16O2
no
4704 ± 0.3 4704 ± 0.3 2.8 ± 0.2 0.19 ± 0.02 vvw
3ν1+ν3
stretching sym.
stretching asym.
=32S=16O
=32S=16O
32S16O2
no
4993 ± 0.3 4993 ± 0.3 1.3 ± 0.1 0.013 ± 0.003 ew
ν1+3ν3
stretching sym.
stretching asym.
=34S=16O
=34S=16O
34S16O2
no
5046.8 ± 0.3 5046.8 ± 0.3 2.7 ± 0.2 0.24 ± 0.02 vw
ν1+3ν3
stretching sym.
stretching asym.
=32S=16O
=32S=16O
32S16O2
no
Spectral range type(s)
FIR, MIR, NIR
Spectral range(s)
500 - 1200 cm-1, 2500 - 5050 cm-1
Reference position infrared
1324 cm-1

Versions

Release date
2021-11-17 21:22:13 UTC+0000
Version (Date)
#1 (2021-11-17 21:22:13 UTC+0000, Updated: 2022-02-09 06:40:01 UTC+0000)
History
Date Mode Version Status Comments
2021-11-16 22:16:04 UTC+0000 first import #1 valid version
Analysis
from compilation and review of most published papers on SO2-I and analysis of the data in Schmitt et al. (1994) paper (in GhoSST@SSHADE)
Quality flag
4
Validation date
2021-11-14
Validators