Band
Title
793.0 cm-1: ν12 of 12CH316OH in CH3OH - phase alpha
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν12 A" bending out-p 12CH316OH CH3OH -16O-1H no
Characteristics summary
Peak position
(cm-1)
Center position
(cm-1)
Width
(cm-1)
Shape Asymmetry factor Peak intensity
(cm-1)
Peak intensity relative Peak strength Integrated intensity
(cm-2)
Integrated intensity relative Integrated strength Temperature
(K)
Pressure
(bar)
793 ± 0.3 - 38 ± 1 undefined 0.2 ± 0.005 0.235 vs 7.6 ± 0.4 0.155 vs 35.0
765 ± 1.5 - 130 ± 10 symmetric 0.09 ± 0.005 0.115 s 11.7 ± 1.5 0.24 vs 120.0
Label
ν12
Symmetry
A"
Category
fundamental vibration
Method
comparison with gas phase

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no

Vibration modes

Label (type)
ν12 (bending out-p)       Bond: -16O-1H
Comments
torsion

Temperature

Temperature
35.0 ± 5.0 K
Temperature max
145.0 K
Method #1
spectrum measurement: direct measurement on the absorbance spectrum, manual linear baseline for peak intensity and FWHM
Overlap
strongly blended
Peak
793 ± 0.3 cm-1 (peak)
Evaluation
validated
Quality
A
FWHM
38 ± 1 cm-1 (hwhm)
Shape
undefined
Evaluation
validated
Quality
C
Method
peak intensity
Absorption coefficient
0.2 ± 0.005 cm-1
Relative intensity
0.235 ± 0.005
Strength
very strong (vs)
Evaluation
undefined
Quality
B
Method
width x peak intensity
Absorption coefficient
7.6 ± 0.4 cm-2
Relative intensity
0.155 ± 0.008
Strength
very strong (vs)
Evaluation
undefined
Quality
C

Temperature

Temperature
120.0 ± 10.0 K
Temperature max
120.0 K
Method #1
spectrum measurement: direct measurement on the absorbance spectrum, manual linear baseline for peak intensity and FWHM
Overlap
isolated
Peak
765 ± 1.5 cm-1 (peak)
Evaluation
validated
Quality
B
FWHM
130 ± 10 cm-1 (hwhm)
Shape
symmetric
Evaluation
validated
Quality
E
Method
peak intensity
Absorption coefficient
0.09 ± 0.005 cm-1
Relative intensity
0.115 ± 0.005
Strength
strong (s)
Evaluation
undefined
Quality
C
Method
width x peak intensity
Absorption coefficient
11.7 ± 1.5 cm-2
Relative intensity
0.24 ± 0.03
Strength
very strong (vs)
Evaluation
undefined
Quality
D