Band
Title
1829.5 cm-1: 2ν4 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
2ν4 unknown stretching CH3CN CH3CN ≥ C-C ≤ 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)
1830 ± 0.5 - - symmetric 38 ± 5 m w 35.0
1829.5 ± 0.5 - - symmetric 41 ± 5 m w 95.0
Band assignment #1
Assignment
Label
2ν4
Symmetry
unknown
Category
overtone vibration

Evaluation

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

Vibration modes

Label (type)
2ν4 (stretching)       Bond: ≥ C-C ≤
Composition
metastable-beta CH3CN

Temperature

Temperature
35.0 ± 15.0 K
Method #1
spectrum measurement
Overlap
moderately blended
Peak
1830 ± 0.5 cm-1 (peak)
Evaluation
undefined
Quality
A
Shape
symmetric
Evaluation
undefined
Method
baseline corrected peak intensity
Absorption coefficient
38 ± 5 cm-1
Strength
medium (m)
Evaluation
undefined
Quality
D
Method
estimated
Strength
weak (w)
Evaluation
undefined
Composition
metastable-beta CH3CN

Temperature

Temperature
95.0 ± 20.0 K
Method #1
spectrum measurement
Overlap
moderately blended
Peak
1829.5 ± 0.5 cm-1 (peak)
Evaluation
undefined
Quality
A
Shape
symmetric
Evaluation
undefined
Method
baseline corrected peak intensity
Absorption coefficient
41 ± 5 cm-1
Strength
medium (m)
Evaluation
undefined
Quality
D
Method
estimated
Strength
weak (w)
Publications