Band
Title
1427.0 cm-1: ν7+ν8 of CH3CN in natural CH3CN - phase beta
Band type
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν7+ν8 unknown combination vibration CH3CN CH3CN -C ≤ H3 unknown Fermi resonance
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)
1427 ± 1 - - broad shoulder 800 ± 150 s s 35.0
1427 ± 1 - - broad shoulder 800 ± 150 s s 95.0
Band assignment #1
Assignment
Label
ν7+ν8
Symmetry
unknown
Category
combination vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 unknown
Primary specie
CH3CN

Vibration modes

Label (type)
ν7 (bending asym. in-p (rocking))       Bond: -C ≤ H3

Resonance #1

Type
Fermi resonance
Band
ν6 (1451.0 cm-1) of CH3CN
Comments
None
Composition
metastable-beta CH3CN

Temperature

Temperature
35.0 ± 15.0 K
Method #1
spectrum measurement
Overlap
slightly blended
Peak
1427 ± 1 cm-1 (peak)
Evaluation
undefined
Quality
B
Shape
broad shoulder
Evaluation
undefined
Method
baseline corrected peak intensity
Absorption coefficient
800 ± 150 cm-1
Strength
strong (s)
Evaluation
undefined
Quality
D
Method
estimated
Strength
strong (s)
Evaluation
undefined
Composition
metastable-beta CH3CN

Temperature

Temperature
95.0 ± 20.0 K
Method #1
spectrum measurement
Overlap
shoulder-tail
Peak
1427 ± 1 cm-1 (peak)
Evaluation
undefined
Quality
B
Shape
broad shoulder
Evaluation
undefined
Method
baseline corrected peak intensity
Absorption coefficient
800 ± 150 cm-1
Strength
strong (s)
Evaluation
undefined
Quality
D
Method
estimated
Strength
strong (s)
Evaluation
undefined
Publications