Band
Title
387.0 cm-1: ν8 of CH3CN in natural CH3CN - phase beta
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν8 Bu bending asym. CH3CN CH3CN ≥ C-C≡ N 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)
387 ± 0.5 - - 35.0
387 ± 1 - - 95.0
388 ± 0.5 - 7 ± 1 undefined 225.0
Label
ν8
Symmetry
Bu
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no

Vibration modes

Label (type)
ν8 (bending asym.)       Bond: ≥ C-C≡ N
Composition
metastable-beta CH3CN

Temperature

Temperature
35.0 ± 15.0 K
Method #1
spectrum measurement
Overlap
moderately blended
Peak
387 ± 0.5 cm-1 (peak)
Evaluation
validated
Quality
A
Composition
metastable-beta CH3CN

Temperature

Temperature
95.0 ± 20.0 K
Method #1
spectrum measurement
Overlap
moderately blended
Peak
387 ± 1 cm-1 (peak)
Evaluation
validated
Quality
B
Composition
stable-beta CH3CN

Temperature

Temperature
225.0 ± 20.0 K
Method #1
spectrum measurement
Overlap
strongly blended
Peak
388 ± 0.5 cm-1 (peak)
Evaluation
validated
Quality
A
FWHM
7 ± 1 cm-1 (hwhm)
Shape
undefined
Evaluation
undefined
Quality
C