Band
Title
2737.5 cm-1: 2ν3 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
2ν3 unknown deformation sym. CH3CN CH3CN -C ≤ H3 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)
2738.5 ± 0.5 - - symmetric 170 ± 10 m m 35.0
2737.5 ± 1 - - symmetric 105 ± 10 m m 95.0
Band assignment #1
Assignment
Label
2ν3
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)
2ν3 (deformation sym.)       Bond: -C ≤ H3
Composition
metastable-beta CH3CN

Temperature

Temperature
35.0 ± 15.0 K
Method #1
spectrum measurement
Overlap
isolated
Peak
2738.5 ± 0.5 cm-1 (peak)
Evaluation
undefined
Quality
A
Comments
with series of weak bands between 2740 and 2900 cm-4
Shape
symmetric
Evaluation
undefined
Method
baseline corrected peak intensity
Absorption coefficient
170 ± 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
2737.5 ± 1 cm-1 (peak)
Evaluation
validated
Quality
B
Comments
with series of weak bands between 2740 and 2900 cm-5
Shape
symmetric
Evaluation
undefined
Method
baseline corrected peak intensity
Absorption coefficient
105 ± 10 cm-1
Strength
medium (m)
Evaluation
undefined
Quality
C
Method
estimated
Strength
medium (m)
Evaluation
undefined
Publications