- Type
- absorption
- Assignments summary
- Characteristics summary
| Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
|---|---|---|---|---|---|---|---|---|---|
| ν9 | A" | stretching asym. | 12CH316OH | CH3OH | ≥ 12C-1H | no | Fermi resonance | ||
| 2ν4 | A' | bending asym. | 12CH316OH | CH3OH | -12C ≤ 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) |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 2910.5 ± 0.3 | - | 12 ± 3 | shoulder | 0.03 | s | 35.0 | ||||||
| 2907 ± 1.5 | - | - | symmetric | 0.013 | m | 120.0 |
- Label
- ν9
- Symmetry
- A"
- Category
- fundamental vibration
- Method
- comparison with gas phase
Evaluation
- Level
- fully assigned
- Evaluation
- validated
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | no |
- Primary specie
- 12CH316OH
- Label (type)
- ν9 (stretching asym.) Bond: ≥ 12C-1H
Vibration modes
Resonance #1
- Type
- Fermi resonance
- Band
- 2ν4 (2910.5 cm-1) of 12CH316OH
- Comments
- with 2ν4 CH3 overtone asym. bending
- Label
- 2ν4
- Symmetry
- A'
- Category
- overtone vibration
Evaluation
- Level
- uncertain assignment
- Evaluation
- undefined
| # | Multiplicity type | Degeneracy | Other band |
|---|---|---|---|
| 1 | no |
- Primary specie
- 12CH316OH
- Label (type)
- 2ν4 (bending asym.) Bond: -12C ≤ H3
Vibration modes
Resonance #1
- Type
- Fermi resonance
- Band
- ν9 (2910.5 cm-1) of 12CH316OH
- Comments
- with ν9 CH3 asym. strtching
- Temperature
- 35.0 ± 5.0 K
Temperature
- Method #1
- spectrum measurement: direct measurement on the absorbance spectrum, manual linear baseline for peak intensity and FWHM
- Overlap
- shoulder-tail
- Peak
- 2910.5 ± 0.3 cm-1 (peak)
- Evaluation
- validated
- Quality
- A
- FWHM
- 12 ± 3 cm-1 (fwhm)
- Shape
- shoulder
- Evaluation
- validated
- Quality
- D
- Method
- peak intensity
- Relative intensity
- 0.03 ± 0.01
- Strength
- strong (s)
- Evaluation
- undefined
- Quality
- E
- Temperature
- 120.0 ± 10.0 K
Temperature
- Method #1
- spectrum measurement: direct measurement on the absorbance spectrum, manual linear baseline for peak intensity and FWHM
- Overlap
- isolated
- Peak
- 2907 ± 1.5 cm-1 (peak)
- Evaluation
- validated
- Quality
- B
- Shape
- symmetric
- Evaluation
- validated
- Method
- peak intensity
- Relative intensity
- 0.013 ± 0.005
- Strength
- medium (m)
- Evaluation
- undefined
- Quality
- E
- Publication
- Data publication experiment