Bandlist 48 48

Absorption band list of CH3OH in natural solid CH3OH (phase alpha)

Title
Absorption band list of CH3OH in natural solid CH3OH (phase alpha)
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Representation
Simple
Gaussian
Peaks
Data
Unit:  Range: Valid spectral range(s): 50.0 - 3450.0 cm-1
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Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2021): Absorption band list of CH3OH in natural solid CH3OH (phase alpha). Version 1. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_ABS_CH3OH_ALPHA-CH3OH
Publication(s)
Data publication(s)
Type
absorption
Description
VUV-NIR-MIR-FIR absorption band list of the isotopes of CH3OH in natural solid α-CH3OH
Number of bands
48
Parent experiments
Parent spectra
Constituent and primary specie
Constituent
CH3OH - phase alpha
Primary specie
CH3OH (Methanol)
Bands
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
65 ± 1 65 ± 1
νT
other
12CH316OH

73.5 ± 1 73.5 ± 1
νT
other
12CH316OH

91 ± 1 91 ± 1
νT
other
12CH316OH

100.5 ± 1 100.5 ± 1
νT
other
12CH316OH

121.5 ± 3 121.5 ± 3
ν[?]
unknown
unknown
12CH316OH

146.5 ± 1 146.5 ± 1
νL
other
libration
12CH316OH

167 ± 1 167 ± 1
νL or T
other
libration
12CH316OH

216 ± 1 216 ± 1
νLT
other
libration
12CH316OH

231 ± 3 231 ± 3
νLT
other
libration
12CH316OH

278.5 ± 1 278.5 ± 1
νLT
other
libration
12CH316OH

328 ± 3 328 ± 3
νLT
other
libration
12CH316OH

354 ± 1 354 ± 1
νT
other
12CH316OH

520 ± 1 520 ± 1
νLT ?
other
libration
12CH316OH

690.5 ± 0.3 690.5 ± 0.3 10.7 ± 0.2 0.247 vs
ν12
bending out-p
-16O-1H
12CH316OH

793 ± 0.3 793 ± 0.3 38 ± 1 0.235 vs
ν12
bending out-p
-16O-1H
12CH316OH

847 ± 5 847 ± 5 0.06 s
ν12
bending out-p
-16O-1H
12CH316OH

1005.3 ± 0.2 1005.3 ± 0.2 2.8 ± 0.3 0.0325 s
ν8
stretching
≥ 13C-16O-
13CH316OH

1018.3 ± 0.2 1018.3 ± 0.2 10 ± 0.2 1 vs
ν8
stretching
≥ 12C-16O-
12CH316OH

1030.5 ± 0.2 1030.5 ± 0.2 0.445 vs
ν8
stretching
≥ 12C-16O-
12CH316OH

1145 ± 0.3 1145 ± 0.3 3.4 ± 0.2 0.205 vs
ν7
bending asym. in-p (rocking)
-12C ≤ H3
12CH316OH

1158 ± 0.3 1158 ± 0.3 4 ± 1.5 0.016 s
ν7
bending asym. in-p (rocking)
-12C ≤ H3
12CH316OH

1160 ± 0.3 1160 ± 0.3 5 ± 1 0.0135 s
ν7
bending asym. in-p (rocking)
-12C ≤ H3
12CH316OH

1256 ± 1 1256 ± 1 13 ± 3 0.0015 m
ν11
bending asym. in-p (rocking)
-12C ≤ H3
12CH316OH

1363 ± 0.3 1363 ± 0.3 15.3 ± 0.5 0.075 s
2ν12
bending out-p
-16O-1H
12CH316OH

1433 ± 0.3 1433 ± 0.3 4.5 ± 0.5 0.013 s
ν10
bending asym.
-12C ≤ H3
12CH316OH

1445 ± 1 1445 ± 1 4 ± 2 0.0035 m
ν5
bending sym.
-12C ≤ H3
12CH316OH

1456.5 ± 0.5 1456.5 ± 0.5 10.5 ± 0.5 0.041 s
ν4
bending asym.
-12C ≤ H3
12CH316OH

1476.3 ± 0.2 1476.3 ± 0.2 13.3 ± 0.5 0.112 s
ν6
bending in-p
-16O-1H
12CH316OH

1519 ± 0.5 1519 ± 0.5 29 ± 2 0.114 s
ν6
bending in-p
-16O-1H
12CH316OH

2031.8 ± 0.3 2031.8 ± 0.3 5.3 ± 0.2 0.038 s
2ν8
stretching
≥ 12C-16O-
12CH316OH

2232.3 ± 0.3 2232.3 ± 0.3 8 ± 2 0.007 m
ν6+ν12
bending in-p
bending out-p
-16O-1H
-16O-1H
12CH316OH

2252.5 ± 0.3 2252.5 ± 0.3 11 ± 2 0.0065 m
2ν7
bending asym. in-p (rocking)
-12C ≤ H3
12CH316OH

2383 ± 1 2383 ± 1 15 ± 2 0.0029 m
ν7+ν11
bending asym. in-p (rocking)
bending asym. in-p (rocking)
-12C ≤ H3
-12C ≤ H3
12CH316OH

2460 ± 1 2460 ± 1 19.5 ± 1.5 0.0082 m
2ν11
bending asym. in-p (rocking)
-12C ≤ H3
12CH316OH
accidental triple
2541.3 ± 0.3 2541.3 ± 0.3 19.5 ± 2 0.052 s
ν6+ν8
bending in-p
stretching
-16O-1H
≥ 12C-16O-
12CH316OH

2567.5 ± 0.5 2567.5 ± 0.5 7.5 ± 2 0.012 m
ν7+ν10
bending asym. in-p (rocking)
bending asym.
-12C ≤ H3
≥ 12C-1H
12CH316OH
accidental double
2605 ± 1 2605 ± 1 0.0025 m
ν7+ν4
bending asym. in-p (rocking)
bending asym.
-12C ≤ H3
≥ 12C-1H
12CH316OH

2618.5 ± 1 2618.5 ± 1 15 ± 5 0.026 s
?+?
unknown
12CH316OH

2650 ± 4 2650 ± 4 0.0095 m
ν10+ν11
ν5+ν11
ν4+ν11
bending asym.
bending asym. in-p (rocking)
bending sym.
bending asym. in-p (rocking)
bending asym.
bending asym. in-p (rocking)
≥ 12C-1H
-12C ≤ H3
≥ 12C-1H
-12C ≤ H3
≥ 12C-1H
-12C ≤ H3
12CH316OH
12CH316OH
12CH316OH
accidental triple
accidental triple
accidental triple


2831 ± 0.3 2831 ± 0.3 13.3 ± 0.5 0.47 vs
ν3
stretching sym.
≥ 12C-1H
12CH316OH

2845.5 ± 0.3 2845.5 ± 0.3 11.5 ± 1 0.15 vs
2ν10
bending asym.
≥ 12C-1H
12CH316OH

2910.5 ± 0.3 2910.5 ± 0.3 12 ± 3 0.03 s
ν9
2ν4
stretching asym.
bending asym.
≥ 12C-1H
-12C ≤ H3
12CH316OH
12CH316OH


Fermi resonance : 2ν4 of 12CH316OH
Fermi resonance : ν9 of 12CH316OH
2931 ± 0.3 2931 ± 0.3 13 ± 2 0.04 s
ν9
stretching asym.
≥ 12C-1H
12CH316OH

2957.5 ± 0.3 2957.5 ± 0.3 16.5 ± 1 0.2 vs
ν2
stretching asym.
≥ 12C-1H
12CH316OH

2985.5 ± 0.3 2985.5 ± 0.3 11 ± 1 0.155 s
ν2
stretching asym.
≥ 12C-1H
12CH316OH

3164 ± 1.5 3164 ± 1.5 83.5 ± 3 0.7 vs
ν1
stretching
-16O-1H
12CH316OH

3271 ± 1.5 3271 ± 1.5 52.5 ± 2 0.77 vs
ν1
stretching
-16O-1H
12CH316OH

3443 ± 4 3443 ± 4 vw
ν3+ν12
stretching sym.
bending out-p
≥ 12C-1H
-16O-1H
12CH316OH

Spectral range type(s)
MIR, FIR
Spectral range(s)
50 - 3450 cm-1
Reference position electronic
84740 cm-1
Reference position infrared
3276 cm-1

Versions

Release date
2021-10-01 12:54:58 UTC+0000
Version (Date)
#1 (2021-10-01 12:54:58 UTC+0000, Updated: 2021-12-05 13:27:01 UTC+0000)
History
Date Mode Version Status Comments
2021-10-01 09:48:33 UTC+0000 first import #1 valid version
Analysis
Compilation of all the available publications on absorption by solid α-CH3OH from the VUV to far-IR
Quality flag
4
Validation date
2020-10-28
Validators