Bandlist 48 48

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

Title
Absorption band list of CH3OH in solid CH3OH (phase alpha)
Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2021): Absorption band list of CH3OH in solid CH3OH (phase alpha). Version 2. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_ABS_CH3OH_ALPHA-CH3OH
Publication(s)
Type
absorption
Description
MIR-FIR absorption band list of the isotopes of CH3OH in solid α-CH3OH
Number of bands
48
Comments
Integrated intensity are estimated from the product of the absorption coefficient and the FWHM
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
unknown
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 0.21 ± 0.005 0.247 vs
ν12
bending out-p
-16O-1H
12CH316OH

793 ± 0.3 793 ± 0.3 38 ± 1 0.2 ± 0.005 0.235 vs
ν12
bending out-p
-16O-1H
12CH316OH

847 ± 5 847 ± 5 0.05 ± 0.02 0.06 s
ν12
bending out-p
-16O-1H
12CH316OH

1005.3 ± 0.2 1005.3 ± 0.2 2.8 ± 0.3 0.0275 ± 5.0e-04 0.0325 s
ν8
stretching
13C-16O-
13CH316OH

1018.3 ± 0.2 1018.3 ± 0.2 10 ± 0.2 0.85 ± 0.01 1 vs
ν8
stretching
12C-16O-
12CH316OH

1030.5 ± 0.2 1030.5 ± 0.2 0.38 ± 0.005 0.445 vs
ν8
stretching
12C-16O-
12CH316OH

1145 ± 0.3 1145 ± 0.3 3.4 ± 0.2 0.175 ± 0.005 0.205 vs
ν7
bending asym. in-p (rocking)
-12C ≤ H3
12CH316OH

1158 ± 0.3 1158 ± 0.3 4 ± 1.5 0.0135 ± 5.0e-04 0.016 s
ν7
bending asym. in-p (rocking)
-12C ≤ H3
12CH316OH

1160 ± 0.3 1160 ± 0.3 5 ± 1 0.0115 ± 5.0e-04 0.0135 s
ν7
bending asym. in-p (rocking)
-12C ≤ H3
12CH316OH

1256 ± 1 1256 ± 1 13 ± 3 0.0014 ± 3.0e-04 0.0015 m
ν11
bending asym. in-p (rocking)
-12C ≤ H3
12CH316OH

1363 ± 0.3 1363 ± 0.3 15.3 ± 0.5 0.065 ± 0.002 0.075 s
12
bending out-p
-16O-1H
12CH316OH

1433 ± 0.3 1433 ± 0.3 4.5 ± 0.5 0.011 ± 0.001 0.013 s
ν10
bending asym.
-12C ≤ H3
12CH316OH

1445 ± 1 1445 ± 1 4 ± 2 0.003 ± 0.001 0.0035 m
ν5
bending sym.
-12C ≤ H3
12CH316OH

1456.5 ± 0.5 1456.5 ± 0.5 10.5 ± 0.5 0.035 ± 5.0e-04 0.041 s
ν4
bending asym.
-12C ≤ H3
12CH316OH

1476.3 ± 0.2 1476.3 ± 0.2 13.3 ± 0.5 0.095 ± 0.005 0.112 s
ν6
bending in-p
-16O-1H
12CH316OH

1519 ± 0.5 1519 ± 0.5 29 ± 2 0.097 ± 0.005 0.114 s
ν6
bending in-p
-16O-1H
12CH316OH

2031.8 ± 0.3 2031.8 ± 0.3 5.3 ± 0.2 0.0325 ± 5.0e-04 0.038 s
8
stretching
12C-16O-
12CH316OH

2232.3 ± 0.3 2232.3 ± 0.3 8 ± 2 0.006 ± 2.0e-04 0.007 m
ν612
bending in-p
bending out-p
-16O-1H
-16O-1H
12CH316OH

2252.5 ± 0.3 2252.5 ± 0.3 11 ± 2 0.0056 ± 2.0e-04 0.0065 m
7
bending asym. in-p (rocking)
-12C ≤ H3
12CH316OH

2383 ± 1 2383 ± 1 15 ± 2 0.0025 ± 2.0e-04 0.0029 m
ν711
bending asym. in-p (rocking)
bending asym. in-p (rocking)
-12C ≤ H3
-12C ≤ H3
12CH316OH

2460 ± 1 2460 ± 1 19.5 ± 1.5 0.007 ± 3.0e-04 0.0082 m
11
bending asym. in-p (rocking)
-12C ≤ H3
12CH316OH
accidental triple
2541.3 ± 0.3 2541.3 ± 0.3 19.5 ± 2 0.044 ± 0.001 0.052 s
ν68
bending in-p
stretching
-16O-1H
12C-16O-
12CH316OH

2567.5 ± 0.5 2567.5 ± 0.5 7.5 ± 2 0.01 ± 0.005 0.012 m
ν710
bending asym. in-p (rocking)
bending asym.
-12C ≤ H3
12C-1H
12CH316OH
accidental double
2605 ± 1 2605 ± 1 0.002 ± 0.001 0.0025 m
ν74
bending asym. in-p (rocking)
bending asym.
-12C ≤ H3
12C-1H
12CH316OH

2618.5 ± 1 2618.5 ± 1 15 ± 5 0.022 ± 0.002 0.026 s
unknown
unknown
12CH316OH

2650 ± 4 2650 ± 4 0.008 ± 0.002 0.0095 m
ν1011
ν511
ν411
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 0.4 ± 0.005 0.47 vs
ν3
stretching sym.
12C-1H
12CH316OH

2845.5 ± 0.3 2845.5 ± 0.3 11.5 ± 1 0.13 ± 0.02 0.15 vs
10
bending asym.
12C-1H
12CH316OH

2910.5 ± 0.3 2910.5 ± 0.3 12 ± 3 0.025 ± 0.01 0.03 s
ν9
4
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 0.035 ± 0.01 0.04 s
ν9
stretching asym.
12C-1H
12CH316OH

2957.5 ± 0.3 2957.5 ± 0.3 16.5 ± 1 0.17 ± 0.01 0.2 vs
ν2
stretching asym.
12C-1H
12CH316OH

2985.5 ± 0.3 2985.5 ± 0.3 11 ± 1 0.133 ± 0.005 0.155 s
ν2
stretching asym.
12C-1H
12CH316OH

3164 ± 1.5 3164 ± 1.5 83.5 ± 3 0.59 ± 0.01 0.7 vs
ν1
stretching
-16O-1H
12CH316OH

3271 ± 1.5 3271 ± 1.5 52.5 ± 2 0.66 ± 0.01 0.77 vs
ν1
stretching
-16O-1H
12CH316OH

3443 ± 4 3443 ± 4 vw
ν312
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
2024-12-23 10:36:29+0000 UTC
Version (Date)
#2 (2024-12-23 10:36:29+0000 UTC, Updated: 2024-12-23 12:59:06+0000 UTC)
Older version(s)
History
Date Mode Version Status Comments
2021-10-01 09:48:33+0000 UTC first import #1 obsolete version added information on integrated intensity of fundamentals vibration and combination modes
Analysis
Compilation and review of all the available publications on absorption by solid α-CH3OH from the mid- to far-IR : Falk and Whalley (1961), Wong and Whalley (1971), Anderson et al. (1988), Moore and Hudson (1994), Kuo et al. (2007), Merlin et al. (2012), Giuliano et al. (2014), plus reanalysis of the data Merlin et al. (2012)
Quality flag
4
Validation date
2020-10-28
Validators