Band
Title
1363.0 cm-1: 2ν12 of 12CH316OH in CH3OH - phase alpha
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
12 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)
1363 ± 0.3 - 15.3 ± 0.5 symmetric 0.065 ± 0.002 0.075 s 1 ± 0.06 0.02 s 35.0
1336.5 ± 1.5 - 40 ± 2 symmetric 0.016 ± 0.005 0.02 s 0.64 ± 0.23 0.013 s 120.0
Label
12
Category
overtone vibration

Evaluation

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

Vibration modes

Label (type)
12 (bending out-p)       Bond: -16O-1H

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
slightly blended
Peak
1363 ± 0.3 cm-1 (peak)
Evaluation
validated
Quality
A
FWHM
15.3 ± 0.5 cm-1 (fwhm)
Shape
symmetric
Evaluation
undefined
Quality
B
Method
peak intensity
Absorption coefficient
0.065 ± 0.002 cm-1
Relative intensity
0.075 ± 0.0025
Strength
strong (s)
Evaluation
undefined
Quality
B
Method
width x peak intensity
Absorption coefficient
1 ± 0.06 cm-2
Relative intensity
0.02 ± 0.0012
Strength
strong (s)
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
1336.5 ± 1.5 cm-1 (peak)
Evaluation
validated
Quality
B
FWHM
40 ± 2 cm-1 (fwhm)
Shape
symmetric
Evaluation
validated
Quality
D
Method
peak intensity
Absorption coefficient
0.016 ± 0.005 cm-1
Relative intensity
0.02 ± 0.005
Strength
strong (s)
Evaluation
undefined
Quality
E
Method
width x peak intensity
Absorption coefficient
0.64 ± 0.23 cm-2
Relative intensity
0.013 ± 0.005
Strength
strong (s)
Evaluation
undefined
Quality
E