Band
Title
783.5 cm-1: 2ν8 ? 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
2ν8 ? unknown bending asym. CH3CN CH3CN ≥ C-C≡ N 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)
785.5 ± 0.5 - 9 ± 3 broad shoulder 70 ± 20 m 630 ± 390 s 35.0
783.5 ± 0.5 - 9 ± 3 broad shoulder 70 ± 20 m 630 ± 390 s 95.0
Band assignment #1
Assignment
Label
2ν8 ?
Symmetry
unknown
Category
overtone vibration

Evaluation

Level
uncertain assignment
Evaluation
uncertain
# Multiplicity type Degeneracy Other band
1 unknown
Primary specie
CH3CN

Vibration modes

Label (type)
2ν8 (bending asym.)       Bond: ≥ C-C≡ N
Composition
metastable-beta CH3CN

Temperature

Temperature
35.0 ± 15.0 K
Method #1
spectrum measurement
Overlap
shoulder-tail
Peak
785.5 ± 0.5 cm-1 (peak)
Evaluation
undefined
Quality
A
FWHM
9 ± 3 cm-1 (estimated)
Shape
broad shoulder
Evaluation
undefined
Quality
D
Method
baseline corrected peak intensity
Absorption coefficient
70 ± 20 cm-1
Strength
medium (m)
Evaluation
undefined
Quality
E
Method
width x peak intensity
Absorption coefficient
630 ± 390 cm-2
Strength
strong (s)
Evaluation
undefined
Quality
E
Composition
metastable-beta CH3CN

Temperature

Temperature
95.0 ± 20.0 K
Method #1
spectrum measurement
Overlap
shoulder-tail
Peak
783.5 ± 0.5 cm-1 (peak)
Evaluation
undefined
Quality
A
FWHM
9 ± 3 cm-1 (estimated)
Shape
broad shoulder
Evaluation
undefined
Quality
D
Method
baseline corrected peak intensity
Absorption coefficient
70 ± 20 cm-1
Strength
medium (m)
Evaluation
undefined
Quality
E
Method
width x peak intensity
Absorption coefficient
630 ± 390 cm-2
Strength
strong (s)
Evaluation
undefined
Quality
E
Publications