- Type
- absorption
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| ν6 | Au | deformation asym. | CH3CN | CH3CN | -C ≤ H3 | no | Fermi resonance |
| 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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1455 ± 0.5 | - | - | symmetric | 5270 ± 200 | vs | 60000 ± 1000 | vs | 35.0 | ||||
| 1454 ± 1 | - | - | symmetric | 4320 ± 200 | vs | 59000 ± 1000 | vs | 95.0 |
- Label
- ν6
- Symmetry
- Au
- Category
- fundamental vibration
Evaluation
- Level
- fully assigned
- Evaluation
- validated
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | no |
- Primary specie
- CH3CN
- Label (type)
- ν6 (deformation asym.) Bond: -C ≤ H3
Vibration modes
Resonance #1
- Type
- Fermi resonance
- Band
- ν7+ν8 (1416.0 cm-1) of CH3CN
- Comments
- None
- Composition
- metastable-beta CH3CN
- Temperature
- 35.0 ± 15.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- slightly blended
- Peak
- 1455 ± 0.5 cm-1 (peak)
- Evaluation
- validated
- Quality
- A
- Shape
- symmetric
- Evaluation
- undefined
- Comments
- with shoulders on low frequency side
- Method
- baseline corrected peak intensity
- Absorption coefficient
- 5270 ± 200 cm-1
- Strength
- very strong (vs)
- Evaluation
- undefined
- Quality
- B
- Method
- band integrated intensity
- Absorption coefficient
- 60000 ± 1000 cm-2
- Strength
- very strong (vs)
- Evaluation
- validated
- Quality
- A
- Comments
- includes 1452, 1449, 1445, 1421, 1417 and 1408 cm-1 bands
- Composition
- metastable-beta CH3CN
- Temperature
- 95.0 ± 20.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- slightly blended
- Peak
- 1454 ± 1 cm-1 (peak)
- Evaluation
- validated
- Quality
- B
- Shape
- symmetric
- Evaluation
- undefined
- Comments
- with shoulders on low frequency side
- Method
- baseline corrected peak intensity
- Absorption coefficient
- 4320 ± 200 cm-1
- Strength
- very strong (vs)
- Evaluation
- undefined
- Quality
- B
- Method
- band integrated intensity
- Absorption coefficient
- 59000 ± 1000 cm-2
- Strength
- very strong (vs)
- Evaluation
- validated
- Quality
- A
- Comments
- includes 1451, 1448, 1443, 1420, 1416 and 1408 cm-1 bands
- Publications
-
- Dello Russo and Khanna, 1996, Icarus, 123, 366 - 395
- Ennis et al., 2017, Phys. Chem. Chem. Phys., 19, 2915 - 2925
- 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