- Type
- absorption
- Assignments summary
- Characteristics summary
Assignment | Symmetry | Mode | Specie(s) | Molecule/Atom | Bond | Multiplicity | Degeneracy | Contribution | Resonance |
---|---|---|---|---|---|---|---|---|---|
2ν12 | bending out-p | 12CH316OH | CH3OH | -16O-1H | no |
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) |
---|---|---|---|---|---|---|---|---|---|---|---|---|
1363 ± 0.3 | - | 15.3 ± 0.5 | symmetric | 0.075 | s | 35.0 | ||||||
1336.5 ± 1.5 | - | 40 ± 2 | symmetric | 0.02 | s | 120.0 |
- 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
- slightly blended
- Peak
- 1363 ± 0.3 cm-1 (peak)
- Evaluation
- validated
- Quality
- A
- FWHM
- 15.3 ± 0.5 cm-1 (fwhm)
- Shape
- symmetric
- Evaluation
- undefined
- Quality
- B
- Method
- peak intensity
- Relative intensity
- 0.075 ± 0.0025
- Strength
- strong (s)
- Evaluation
- undefined
- Quality
- B
- 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
- 1336.5 ± 1.5 cm-1 (peak)
- Evaluation
- validated
- Quality
- B
- FWHM
- 40 ± 2 cm-1 (fwhm)
- Shape
- symmetric
- Evaluation
- validated
- Quality
- D
- Method
- peak intensity
- Relative intensity
- 0.02 ± 0.005
- Strength
- strong (s)
- Evaluation
- undefined
- Quality
- E
- Publication
- Data publication experiment