Methyl-d3-acetate
- Formula: C3H3D3O2
- Molecular weight: 77.0970
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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 | 2288 | D | 2288 M | gas | ||||
| a' | 2 | CH3 d-str | 3031 | D | 3031 W | gas | ||||
| a' | 3 | CD3 s-str | 2104 | D | 2104 M | gas | ||||
| a' | 4 | CH3 s-str | 2964 | D | 2964 W | gas | ||||
| a' | 5 | C=O str | 1769 | C | 1769 VS | gas | ||||
| a' | 6 | CD3 d-deform | 1050 | E | 1050 W | gas | OV(ν20) | |||
| a' | 7 | CD3 s-deform | 1106 | C | 1106 S | gas | ||||
| a' | 8 | CH3 d-deform | 1430 | E | 1430 W | solid solid | OV(ν21) | |||
| a' | 9 | CH3 s-deform | 1375 | D | 1375 S | gas | ||||
| a' | 10 | C-O str | 1268 | C | 1268 VS | gas | ||||
| a' | 11 | CD3 rock | 985 | D | 985 W | gas | ||||
| a' | 12 | O-CD3 str | 1043 | D | 1043 M | gas | ||||
| a' | 13 | CH3 rock | 947 | C | 947 M | gas | ||||
| a' | 14 | CC str | 781 | C | 781 M | gas | ||||
| a' | 15 | C=O ip-bend | 619 | C | 619 M | gas | ||||
| a' | 16 | CCO deform | 420 | C | 420 M | gas | ||||
| a' | 17 | COC deform | 270 | D | 270 M | gas | ||||
| a | 18 | CD3 d-str | 2263 | D | 2263 M | gas | ||||
| a | 19 | CH3 d-str | 2994 | D | 2994 W | gas | ||||
| a | 20 | CD3 d-deform | 1050 | D | 1050 W | gas | OV(ν6) | |||
| a | 21 | CH3 d-deform | 1430 | E | 1430 W | solid solid | OV(ν8) | |||
| a | 22 | CD3 rock | 908 | E | 908 W | gas | ||||
| a | 23 | CD3 rock | 1015 | E | 1015 W sh | gas | ||||
| a | 24 | C=O op-bend | 600 | D | 600 W sh | gas | ||||
| a | 25 | C-O torsion | 165 | D | 165 M | gas | ||||
| a | 26 | C-C torsion | 136 | E | CF | |||||
| a | 27 | O-CD3 torsion | 81 | E | CF | |||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| sh | Shoulder |
| CF | Calculated frequency |
| OV | Overlapped by band indicated in parentheses. |
| C | 3~6 cm-1 uncertainty |
| D | 6~15 cm-1 uncertainty |
| E | 15~30 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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