- Type
- absorption
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| ν1 | Bu | stretching sym. | CH3CN | CH3CN | ≥ C-H | no | major | ||
| ν1 | Au | stretching sym. | CH3CN | CH3CN | ≥ C-H | 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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2939.5 ± 0.5 | - | 3.6 ± 0.1 | symmetric | 3025 ± 50 | vs | 12500 ± 1500 | s | 35.0 | ||||
| 2940 ± 0.5 | - | 4.2 ± 0.1 | symmetric | 2260 ± 50 | vs | 12000 ± 2000 | s | 95.0 | ||||
| 2941 ± 0.5 | - | - | vs | s | 225.0 |
- Composition
- metastable-beta CH3CN
- Temperature
- 35.0 ± 15.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- isolated
- Peak
- 2939.5 ± 0.5 cm-1 (peak)
- Evaluation
- validated
- Quality
- A
- FWHM
- 3.6 ± 0.1 cm-1 (fwhm)
- Shape
- symmetric
- Evaluation
- undefined
- Quality
- A
- Method
- baseline corrected peak intensity
- Absorption coefficient
- 3025 ± 50 cm-1
- Strength
- very strong (vs)
- Evaluation
- undefined
- Quality
- A
- Method
- band integrated intensity
- Absorption coefficient
- 12500 ± 1500 cm-2
- Strength
- strong (s)
- Evaluation
- validated
- Quality
- D
- Composition
- metastable-beta CH3CN
- Temperature
- 95.0 ± 20.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- isolated
- Peak
- 2940 ± 0.5 cm-1 (peak)
- Evaluation
- validated
- Quality
- A
- FWHM
- 4.2 ± 0.1 cm-1 (fwhm)
- Shape
- symmetric
- Evaluation
- undefined
- Quality
- A
- Method
- baseline corrected peak intensity
- Absorption coefficient
- 2260 ± 50 cm-1
- Strength
- very strong (vs)
- Evaluation
- undefined
- Quality
- B
- Method
- band integrated intensity
- Absorption coefficient
- 12000 ± 2000 cm-2
- Strength
- strong (s)
- Evaluation
- validated
- Quality
- D
- Composition
- stable-beta CH3CN
- Temperature
- 225.0 ± 20.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- isolated
- Peak
- 2941 ± 0.5 cm-1 (peak)
- Evaluation
- validated
- Quality
- A
- Method
- extrapolated
- Strength
- very strong (vs)
- Evaluation
- undefined
- Method
- extrapolated
- Strength
- strong (s)
- Evaluation
- undefined
- Publications
-
- Dello Russo and Khanna, 1996, Icarus, 123, 366 - 395
- Ennis et al., 2017, Phys. Chem. Chem. Phys., 19, 2915 - 2925
- Pace and Noe, 1968, J. Chem. Phys., 49, 5317 - 5325
- Milligan and Jacox, 1962, J. Mol. Spectrosc., 8, 126 - 133
- Abdulgalil et al., 2013, Phil. Trans. R. Soc. A, 371, 20110586
- Hudson, 2020, Icarus, 338, 113548
- Moore et al., 2010, Astrophys. J., Suppl. Ser., 191, 96 - 112