- Type
- absorption
- Assignments summary
- Characteristics summary
Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
---|---|---|---|---|---|---|---|---|---|
ν1+ν6 | unknown | combination vibration | CH3CN | CH3CN |
≥ C-H -C ≤ H3 |
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) |
---|---|---|---|---|---|---|---|---|---|---|---|---|
4403.5 ± 0.5 | - | - | asymmetric | 200 ± 30 | m | w | 35.0 | |||||
4403.5 ± 0.5 | - | - | asymmetric | 180 ± 30 | m | w | 95.0 |
- Label
- ν1+ν6
- 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
- slightly blended
- Peak
- 4403.5 ± 0.5 cm-1 (peak)
- Evaluation
- undefined
- Quality
- A
- Shape
- asymmetric
- Evaluation
- undefined
- Method
- baseline corrected peak intensity
- Absorption coefficient
- 200 ± 30 cm-1
- Strength
- medium (m)
- Evaluation
- undefined
- Quality
- D
- Method
- estimated
- Strength
- weak (w)
- Evaluation
- undefined
- Composition
- metastable-beta CH3CN
- Temperature
- 95.0 ± 20.0 K
Temperature
- Method #1
- spectrum measurement
- Overlap
- slightly blended
- Peak
- 4403.5 ± 0.5 cm-1 (peak)
- Evaluation
- validated
- Quality
- A
- Shape
- asymmetric
- Evaluation
- undefined
- Method
- baseline corrected peak intensity
- Absorption coefficient
- 180 ± 30 cm-1
- Strength
- medium (m)
- Evaluation
- undefined
- Quality
- D
- Method
- estimated
- Strength
- weak (w)
- Evaluation
- undefined