Band
Title
68200.0 cm-1: 21 A" ← X1 A' of 12CH316OH in CH3OH - amorphous
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
21 A" ← X1 A' intervalence charge transfer 12CH316OH CH3OH 12C-16O- unknown unknown
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)
68200 ± 50 - 10000 ± 1000 broad shoulder 57000 ± 5000 0.5 vvs 0.15 vvs 9.0
Label
21 A" ← X1 A'
Category
electronic transition
Method
comparison with gas phase

Evaluation

Level
partly assigned
Evaluation
validated
Comments
likely attribution
# Multiplicity type Degeneracy Other band
1 unknown unknown
Primary specie
12CH316OH
Comments
probably strongly blended contributions from different vibration levels of ν8

Electronic modes

Label (type)
21 A" ← X1 A' (intervalence charge transfer)
Comments
8',ν8”) = (0,n)

Vibration modes

Label (type)
8 (stretching)       Bond: 12C-16O-
Texture
thin film

Temperature

Temperature
9.0 ± 2.0 K
Formation temperature
9.0 K
Method #1
spectrum fit
Fit function
Gaussian
Overlap
shoulder-tail
Peak
68200 ± 50 cm-1 (fit peak)
Evaluation
validated
Quality
E
FWHM
10000 ± 1000 cm-1 (fit fwhm)
Shape
broad shoulder
Evaluation
validated
Quality
E
Method
fit intensity
Absorption coefficient
57000 ± 5000 cm-1
Relative intensity
0.5 ± 0.03
Strength
very very strong (vvs)
Evaluation
undefined
Quality
C
Method
width x peak intensity
Relative intensity
0.15 ± 0.05
Strength
very very strong (vvs)
Evaluation
undefined
Quality
E