Acetone-alpha, alpha, alpha-d3
- Formula: C3H3D3O
- Molecular weight: 61.0976
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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 | CH3 d-str | 3018 | C | 3017.5 S | gas | 3004.5 S | liq. | ||
| a' | 2 | CH3 s-str | 2922 | C | 2921.5 VS p | liq. | ||||
| a' | 3 | CD3 d-str | 2265 | C | 2265 M | gas | 2256 S | liq. | ||
| a' | 4 | CD3 s-str | 2115 | E | 2150 | gas | 2141.5 VS p | liq. | FR(2ν9) | |
| a' | 4 | CD3 s-str | 2115 | E | 2095 VW | gas | 2095.5 S p | liq. | FR(2ν9) | |
| a' | 5 | CO str | 1734 | C | 1734 VS | gas | 1706 S | liq. | ||
| a' | 6 | CH3 d-deform | 1430 | C | 1430 S | gas | 1427.5 M | liq. | ||
| a' | 7 | CH3 s-deform | 1360 | C | 1360 VS | gas | 1361.5 VW | liq. | ||
| a' | 8 | CC str | 1225 | C | 1224.5 VS | 1227.5 W | liq. | |||
| a' | 9 | CD3 s-deform | 1058 | C | gas | 1057.5 W | liq. | |||
| a' | 10 | CH3 rock | 1021 | C | 1021 S | 1029.5 W | liq. | |||
| a' | 11 | CD3 d-deform | 1003 | C | gas | 1003 M p | liq. | |||
| a' | 12 | CD3 rock | 781 | C | 781 W | gas | 780.5 VW | liq. | ||
| a' | 13 | CC str | 740 | C | 735 W | gas | 740 VS p | liq. | ||
| a' | 14 | CO ip-bend | 502 | C | 501.5 S | gas | ||||
| a' | 15 | CCC deform | 352 | C | 352 W | gas | 356.5 W | liq. | ||
| a | 16 | CH3 d-str | 2968 | C | 2968 S | gas | 2965 S | liq. | ||
| a | 17 | CD3 d-str | 2222 | C | 2222 M | gas | 2217.5 S | liq. | ||
| a | 18 | CH3 d-deform | 1447 | C | 1447 S | gas | ||||
| a | 19 | CH3 rock | 1035 | C | 1035 S | gas | ||||
| a | 20 | CD3 d-deform | 999 | C | 999 S | gas | ||||
| a | 21 | CD3 rock | 764 | D | 764 M | sln. | ||||
| a | 22 | CO op-bend | 438 | C | 438 | gas | 444 W | liq. | ||
| a | 23 | CH3 torsion | 106 | E | CF | |||||
| a | 24 | CD3 torsion | 78 | E | CF | |||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| p | Polarized |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| CF | Calculated frequency |
| 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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