Band
Title
1158.0 cm-1: ν7 of 12CH316OH in CH3OH - phase alpha
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν7 A' bending asym. in-p (rocking) 12CH316OH CH3OH -12C ≤ H3 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)
1158 ± 0.3 - 4 ± 1.5 symmetric 0.0135 ± 5.0e-04 0.016 s 0.055 ± 0.02 0.0011 m 35.0
1157 ± 1.5 - - symmetric 0.003 ± 5.0e-04 0.004 m m 120.0
Label
ν7
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)
ν7 (bending asym. in-p (rocking))       Bond: -12C ≤ H3

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
isolated
Peak
1158 ± 0.3 cm-1 (peak)
Evaluation
validated
Quality
A
FWHM
4 ± 1.5 cm-1 (hwhm)
Shape
symmetric
Evaluation
validated
Quality
C
Method
peak intensity
Absorption coefficient
0.0135 ± 5.0e-04 cm-1
Relative intensity
0.016 ± 5.0e-04
Strength
strong (s)
Evaluation
undefined
Quality
B
Method
width x peak intensity
Absorption coefficient
0.055 ± 0.02 cm-2
Relative intensity
0.0011 ± 0.0004
Strength
medium (m)
Evaluation
undefined
Quality
E

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
1157 ± 1.5 cm-1 (peak)
Evaluation
validated
Quality
B
Shape
symmetric
Evaluation
validated
Quality
undefined
Method
peak intensity
Absorption coefficient
0.003 ± 5.0e-04 cm-1
Relative intensity
0.004 ± 5.0e-04
Strength
medium (m)
Evaluation
undefined
Quality
D
Method
estimated
Strength
medium (m)
Evaluation
undefined
Quality
undefined