Band
Title
2200.0 cm-1: ν2 of CH3 13CN in natural CH3CN - phase beta
Band type
Type
absorption
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν2 Au stretching sym. CH3 13CN CH3CN -13C≡14N 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)
2200 ± 0.5 - - symmetric 120 ± 10 m m 35.0
2200 ± 0.5 - - symmetric 115 ± 10 m m 95.0
Band assignment #1
Assignment
Label
ν2
Symmetry
Au
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no
Primary specie
CH3 13CN

Vibration modes

Label (type)
ν2 (stretching sym.)       Bond: -13C≡14N
Composition
metastable-beta CH3CN

Temperature

Temperature
35.0 ± 15.0 K
Method #1
spectrum measurement
Overlap
isolated
Peak
2200 ± 0.5 cm-1 (peak)
Evaluation
undefined
Quality
A
Shape
symmetric
Evaluation
undefined
Method
baseline corrected peak intensity
Absorption coefficient
120 ± 10 cm-1
Strength
medium (m)
Evaluation
undefined
Quality
C
Method
estimated
Strength
medium (m)
Evaluation
undefined
Composition
metastable-beta CH3CN

Temperature

Temperature
95.0 ± 20.0 K
Method #1
spectrum measurement
Overlap
isolated
Peak
2200 ± 0.5 cm-1 (peak)
Evaluation
undefined
Quality
A
Shape
symmetric
Evaluation
undefined
Method
baseline corrected peak intensity
Absorption coefficient
115 ± 10 cm-1
Strength
medium (m)
Evaluation
undefined
Quality
C
Method
estimated
Strength
medium (m)
Evaluation
undefined
Publications