- Type
- absorption
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| ν4 | Bu | stretching | CH3 13CN | CH3CN | ≡ 13C-12C≤ | unknown | medium | ||
| ν4 | Bu | stretching | 13CH3CN | CH3CN | ≡ 12C-13C≤ | unknown | medium |
| 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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 903 ± 0.5 | - | 2.8 ± 0.5 | undefined | 19 ± 2 | w | 53.2 ± 15.1 | w | 35.0 | ||||
| 902.5 ± 0.5 | - | 2.8 ± 0.5 | undefined | 18.5 ± 2 | w | 51.8 ± 14.85 | w | 95.0 |
- Label
- ν4
- Symmetry
- Bu
- Category
- fundamental vibration
Evaluation
- Level
- fully assigned
- Evaluation
- validated
- Contribution level
- medium
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | unknown |
- Primary specie
- CH3 13CN
- Label (type)
- ν4 (stretching) Bond: ≡ 13C-12C≤
Vibration modes
- Label
- ν4
- Symmetry
- Bu
- Category
- fundamental vibration
Evaluation
- Level
- fully assigned
- Evaluation
- validated
- Contribution level
- medium
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | unknown |
- Primary specie
- 13CH3CN
- Label (type)
- ν4 (stretching) Bond: ≡ 12C-13C≤
Vibration modes
- Composition
- metastable-beta CH3CN
- Temperature
- 35.0 ± 15.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- isolated
- Peak
- 903 ± 0.5 cm-1 (peak)
- Evaluation
- validated
- Quality
- A
- FWHM
- 2.8 ± 0.5 cm-1 (fwhm)
- Shape
- undefined
- Evaluation
- undefined
- Quality
- B
- Method
- baseline corrected peak intensity
- Absorption coefficient
- 19 ± 2 cm-1
- Strength
- weak (w)
- Evaluation
- undefined
- Quality
- D
- Method
- width x peak intensity
- Absorption coefficient
- 53.2 ± 15.1 cm-2
- Strength
- weak (w)
- Evaluation
- undefined
- Quality
- E
- Composition
- metastable-beta CH3CN
- Temperature
- 95.0 ± 20.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- isolated
- Peak
- 902.5 ± 0.5 cm-1 (peak)
- Evaluation
- validated
- Quality
- A
- FWHM
- 2.8 ± 0.5 cm-1 (fwhm)
- Shape
- undefined
- Evaluation
- undefined
- Quality
- B
- Method
- baseline corrected peak intensity
- Absorption coefficient
- 18.5 ± 2 cm-1
- Strength
- weak (w)
- Evaluation
- undefined
- Quality
- D
- Method
- width x peak intensity
- Absorption coefficient
- 51.8 ± 14.85 cm-2
- Strength
- weak (w)
- Evaluation
- undefined
- Quality
- E