[2H4]acetaldehyde
- Formula: C2D4O
- Molecular weight: 48.0772
- CAS Registry Number: 1632-89-9
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Vibrational and/or electronic energy levels
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Takehiko Shimanouchi
Symmetry: Cs Symmetry Number σ = 1
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a' | 1 | CD3 d-str | 2265 | C | 2265 W | gas | ||||
| a' | 2 | CD3 s-str | 2130 | C | 2130 W | gas | 2128 | liq. | ||
| a' | 3 | CD str | 2060 | C | 2060 M | gas | 2072 | liq. | ||
| a' | 4 | CO str | 1737 | C | 1737 VS | gas | 1706 | liq. | ||
| a' | 5 | CD3 d-deform | 1045 | C | 1045 M | gas | 1090 | liq. | ||
| a' | 6 | CD bend | 938 | C | 938 M | gas | ||||
| a' | 7 | CD3 s-deform | 1028 | C | 1028 M | gas | 1024 | liq. | SF(ν12) | |
| a' | 8 | CC str | 1151 | C | 1151 S | gas | 1153 | liq. | ||
| a' | 9 | CD3 rock | 747 | C | 747 W | gas | 762 | liq. | ||
| a' | 10 | CCO deform | 436 | C | 436 S | gas | 422.4 | liq. | ||
| a | 11 | CD3 d-str | 2225 | C | 2225 W | gas | ||||
| a | 12 | CD3 d-deform | 1028 | C | 1028 M | gas | 1024 | liq. | SF(ν7) | |
| a | 13 | CD3 rock | 573 | C | 573 W | gas | ||||
| a | 14 | CD bend | 670 | D | CF | |||||
| a | 15 | Torsion | 116 | C | 116 W | gas | MW | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| CF | Calculated frequency |
| SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the parentheses. |
| MW | Torsional Frequency calculated from microwave spectroscopic data. |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
References
Go To: Top, Vibrational and/or electronic energy levels, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shimanouchi, 1972
Shimanouchi, T.,
Tables of Molecular Vibrational Frequencies Consolidated Volume I, National Bureau of Standards, 1972, 1-160. [all data]
Notes
Go To: Top, Vibrational and/or electronic energy levels, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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