Band
Title
1372.0 cm-1: ν3 of CH3CN in natural CH3CN - phase beta
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν3 Bu deformation sym. CH3CN CH3CN -C ≤ 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)
1372.5 ± 0.5 - - 1560 ± 150 s s 35.0
1372 ± 0.5 - - 1375 ± 150 s s 95.0
1370.5 ± 0.5 - 8.5 ± 2 s s 225.0
Label
ν3
Symmetry
Bu
Category
fundamental vibration

Evaluation

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

Vibration modes

Label (type)
ν3 (deformation sym.)       Bond: -C ≤ H3
Composition
metastable-beta CH3CN

Temperature

Temperature
35.0 ± 15.0 K
Method #1
spectrum measurement
Overlap
strongly blended
Peak
1372.5 ± 0.5 cm-1 (peak)
Evaluation
validated
Quality
A
Method
baseline corrected peak intensity
Absorption coefficient
1560 ± 150 cm-1
Strength
strong (s)
Evaluation
undefined
Quality
C
Method
estimated
Strength
strong (s)
Evaluation
undefined
Composition
metastable-beta CH3CN

Temperature

Temperature
95.0 ± 20.0 K
Method #1
spectrum measurement
Overlap
strongly blended
Peak
1372 ± 0.5 cm-1 (peak)
Evaluation
validated
Quality
A
Method
baseline corrected peak intensity
Absorption coefficient
1375 ± 150 cm-1
Strength
strong (s)
Evaluation
undefined
Quality
D
Method
estimated
Strength
strong (s)
Evaluation
undefined
Composition
stable-beta CH3CN

Temperature

Temperature
225.0 ± 20.0 K
Method #1
spectrum measurement
Overlap
strongly blended
Peak
1370.5 ± 0.5 cm-1 (peak)
Evaluation
validated
Quality
A
FWHM
8.5 ± 2 cm-1 (hwhm)
Evaluation
undefined
Quality
D
Method
extrapolated
Strength
strong (s)
Evaluation
undefined
Method
extrapolated
Strength
strong (s)