- Type
- absorption
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| ν2+ν4 | unknown | combination vibration | CH3CN | CH3CN |
≥ C-N< ≥ C-C ≤ |
unknown |
| 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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 3164 ± 0.5 | - | 3.95 ± 0.1 | symmetric | 530 ± 10 | s | 2093.5 ± 92.5 | s | 35.0 | ||||
| 3163 ± 0.5 | - | 3.75 ± 0.1 | symmetric | 515 ± 10 | s | 1931.25 ± 89 | s | 95.0 | ||||
| 3161 ± 0.5 | - | - | s | s | 225.0 |
- Label
- ν2+ν4
- Symmetry
- unknown
- Category
- combination vibration
Evaluation
- Level
- fully assigned
- Evaluation
- validated
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | unknown |
- Primary specie
- CH3CN
- Composition
- metastable-beta CH3CN
- Temperature
- 35.0 ± 15.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- isolated
- Peak
- 3164 ± 0.5 cm-1 (peak)
- Evaluation
- undefined
- Quality
- A
- FWHM
- 3.95 ± 0.1 cm-1 (fwhm)
- Shape
- symmetric
- Evaluation
- undefined
- Quality
- A
- Method
- baseline corrected peak intensity
- Absorption coefficient
- 530 ± 10 cm-1
- Strength
- strong (s)
- Evaluation
- undefined
- Quality
- A
- Method
- width x peak intensity
- Absorption coefficient
- 2093.5 ± 92.5 cm-2
- Strength
- strong (s)
- Evaluation
- undefined
- Quality
- B
- Composition
- metastable-beta CH3CN
- Temperature
- 95.0 ± 20.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- isolated
- Peak
- 3163 ± 0.5 cm-1 (peak)
- Evaluation
- validated
- Quality
- A
- FWHM
- 3.75 ± 0.1 cm-1 (fwhm)
- Shape
- symmetric
- Evaluation
- undefined
- Quality
- A
- Method
- baseline corrected peak intensity
- Absorption coefficient
- 515 ± 10 cm-1
- Strength
- strong (s)
- Evaluation
- undefined
- Quality
- A
- Method
- width x peak intensity
- Absorption coefficient
- 1931.25 ± 89 cm-2
- Strength
- strong (s)
- Evaluation
- undefined
- Quality
- B
- Composition
- stable-beta CH3CN
- Temperature
- 225.0 ± 20.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- isolated
- Peak
- 3161 ± 0.5 cm-1 (peak)
- Evaluation
- validated
- Quality
- A
- Method
- extrapolated
- Strength
- strong (s)
- Evaluation
- undefined
- Method
- extrapolated
- Strength
- strong (s)
- Evaluation
- undefined