- Type
- absorption
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| νLxy (Bu) | Bu | libration | CH3CN | CH3CN | mode degeneracy | double |
| 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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 121 ± 1 | - | - | asymmetric high frequency wing | 89000 ± 1000 | vs | 35.0 | ||||||
| 120 ± 3 | - | - | asymmetric high frequency wing | 85000 ± 1000 | vs | 95.0 |
- Label
- νLxy (Bu)
- Symmetry
- Bu
- Category
- rotation
Evaluation
- Level
- fully assigned
- Evaluation
- validated
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | mode degeneracy | double |
- Primary specie
- CH3CN
- Label (type)
- νLxy (libration)
Rotation modes
- Composition
- metastable-beta CH3CN
- Temperature
- 35.0 ± 15.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- strongly blended
- Peak
- 121 ± 1 cm-1 (peak)
- Evaluation
- validated
- Quality
- B
- Shape
- asymmetric high frequency wing
- Method
- band integrated intensity
- Absorption coefficient
- 89000 ± 1000 cm-2
- Strength
- very strong (vs)
- Evaluation
- validated
- Quality
- A
- Comments
- includes 104, 128, 146 and 165 cm-1 bands
- Composition
- metastable-beta CH3CN
- Temperature
- 95.0 ± 20.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- strongly blended
- Peak
- 120 ± 3 cm-1 (peak)
- Evaluation
- validated
- Quality
- C
- Shape
- asymmetric high frequency wing
- Method
- band integrated intensity
- Absorption coefficient
- 85000 ± 1000 cm-2
- Strength
- very strong (vs)
- Evaluation
- validated
- Quality
- A
- Comments
- includes 128, 144 and 163 cm-1 bands