Band
Title
2831.0 cm-1: ν3 of 12C1H316O1H in natural CH3OH - phase alpha
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν3 A' stretching sym. 12CH316OH CH3OH 12C-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)
2831 ± 0.3 - 13.3 ± 0.5 undefined 0.47 vs 35.0
2831.5 ± 0.3 - 13.7 ± 0.5 symmetric 0.435 vs 120.0
Label
ν3
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)
ν3 (stretching sym.)       Bond: 12C-1H

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
strongly blended
Peak
2831 ± 0.3 cm-1 (peak)
Evaluation
validated
Quality
A
FWHM
13.3 ± 0.5 cm-1 (fwhm)
Shape
undefined
Evaluation
validated
Quality
B
Method
peak intensity
Relative intensity
0.47 ± 0.005
Strength
very strong (vs)
Evaluation
undefined
Quality
A

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
2831.5 ± 0.3 cm-1 (peak)
Evaluation
validated
Quality
A
FWHM
13.7 ± 0.5 cm-1 (fwhm)
Shape
symmetric
Evaluation
validated
Quality
B
Method
peak intensity
Relative intensity
0.435 ± 0.005
Strength
very strong (vs)
Evaluation
undefined
Quality
A