Band
Title
144.0 cm-1: νLxy (Bu) of CH3CN in natural CH3CN - phase beta
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
νLxy (Bu) Bu libration CH3CN CH3CN mode degeneracy double
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)
146 ± 3 - - shoulder 35.0
144 ± 4 - - shoulder 95.0
Label
νLxy (Bu)
Symmetry
Bu
Category
rotation

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 mode degeneracy double

Rotation modes

Label (type)
νLxy (libration)
Composition
metastable-beta CH3CN

Temperature

Temperature
35.0 ± 15.0 K
Method #1
spectrum measurement
Overlap
shoulder-tail
Peak
146 ± 3 cm-1 (peak)
Evaluation
validated
Quality
C
Shape
shoulder
Composition
metastable-beta CH3CN

Temperature

Temperature
95.0 ± 20.0 K
Method #1
spectrum measurement
Overlap
shoulder-tail
Peak
144 ± 4 cm-1 (peak)
Evaluation
validated
Quality
C
Shape
shoulder