Diethylnyl ketone
- Formula: C5H2O
- Molecular weight: 78.0688
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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: C2ν Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | CH str | 3325 | C | 3325 S | gas | 3275 W b | liq. | OV(ν13) | |
| a1 | 2 | C≡C str | 2097 | C | 2098 VS sh | liq. | 2097 VS p | liq. | ||
| a1 | 3 | CO str | 1669 | C | 1669 S | gas | 1636 S p | liq. | ||
| a1 | 4 | C-C str | 739 | C | 739 VW | gas | 749 M p | liq. | ||
| a1 | 5 | CH bend | 648 | C | 648 S | gas | ||||
| a1 | 6 | C-C-C deform | 571 | C | 571 W | liq. | ||||
| a1 | 7 | C≡C-C deform | 122 | C | 122 VW | gas | ||||
| a2 | 8 | CH bend | 712 | C | ia | 712 VW dp | liq. | |||
| a2 | 9 | C≡C-C deform | 268 | C | ia | 268 M | liq. | |||
| b1 | 10 | CH bend | 729 | C | 729 S | gas | 733 VW | sln. | ||
| b1 | 11 | CO op-bend | 688 | C | 688 S | gas | 689 VW | liq. | ||
| b1 | 12 | C≡C-C deform | 190 | C | 190 VW | gas | 200 W | liq. | ||
| b2 | 13 | CH str | 3325 | C | 3325 S | gas | 3275 VW b | liq. | OV(ν1) | |
| b2 | 14 | C≡C str | 2115 | C | 2115 S | gas | 2107 M | liq. | ||
| b2 | 15 | C-C str | 1144 | C | 1144 VS | gas | ||||
| b2 | 16 | CH bend | 682 | C | 682 M | gas | ||||
| b2 | 17 | CO ip-bend | 548 | C | 548 M | gas | ||||
| b2 | 18 | C≡C-C deform | 229 | C | 229 VW | gas | 239 M | liq. | ||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| ia | Inactive |
| b | Broad |
| sh | Shoulder |
| p | Polarized |
| dp | Depolarized |
| OV | Overlapped by band indicated in parentheses. |
| C | 3~6 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 II,
J. Phys. Chem. Ref. Data, 1972, 6, 3, 993-1102. [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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