Band
Title
847.0 cm-1: ν12 of 12C1H316O1H in natural 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)
847 ± 5 - - symmetric 0.06 s 35.0
810 ± 10 - - symmetric 0.06 s 120.0
Label
ν12
Symmetry
A"
Category
fundamental vibration
Method
comparison with gas phase

Evaluation

Level
partly 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
Method #1
spectrum measurement: direct measurement on the absorbance spectrum, manual linear baseline for peak intensity and FWHM
Overlap
isolated
Peak
847 ± 5 cm-1 (peak)
Evaluation
validated
Quality
C
Shape
symmetric
Evaluation
validated
Method
estimated
Relative intensity
0.06 ± 0.025
Strength
strong (s)
Evaluation
undefined
Quality
E

Temperature

Temperature
120.0 ± 10.0 K
Method #1
spectrum measurement: direct measurement on the absorbance spectrum, manual linear baseline for peak intensity and FWHM
Overlap
isolated
Peak
810 ± 10 cm-1 (peak)
Evaluation
validated
Quality
D
Shape
symmetric
Evaluation
validated
Method
estimated
Relative intensity
0.06 ± 0.025
Strength
strong (s)
Evaluation
undefined
Quality
E