- Type
- absorption
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| ν8 | Bu | bending asym. | CH3CN | CH3CN | ≥ C-C≡ N | no | major | ||
| ν8 | Au | bending asym. | CH3CN | CH3CN | ≥ C-C≡ N | no | minor |
| 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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 394 ± 1 | - | - | 4100 ± 1000 | s | 35.0 | |||||||
| 395 ± 2 | - | - | 4500 ± 1000 | s | 95.0 |
- Composition
- metastable-beta CH3CN
- Temperature
- 35.0 ± 15.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- moderately blended
- Peak
- 394 ± 1 cm-1 (peak)
- Evaluation
- validated
- Quality
- B
- Method
- band integrated intensity
- Absorption coefficient
- 4100 ± 1000 cm-2
- Strength
- strong (s)
- Evaluation
- validated
- Quality
- D
- Comments
- includes 387 cm-1 band
- Composition
- metastable-beta CH3CN
- Temperature
- 95.0 ± 20.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- moderately blended
- Peak
- 395 ± 2 cm-1 (peak)
- Evaluation
- validated
- Quality
- B
- Method
- band integrated intensity
- Absorption coefficient
- 4500 ± 1000 cm-2
- Strength
- strong (s)
- Evaluation
- validated
- Quality
- D
- Comments
- includes 387 cm-1 band