acetyl fluoride
- Formula: C2H3FO
- Molecular weight: 62.0430
- IUPAC Standard InChI: InChI=1S/C2H3FO/c1-2(3)4/h1H3
- IUPAC Standard InChIKey: JUCMRTZQCZRJDC-UHFFFAOYSA-N
- CAS Registry Number: 557-99-3
- Chemical structure:
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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 | 3043 | C | 3043 W | gas | 3043 VW | liq. | ||
| a' | 2 | CH3 s-str | 2955 | C | 2955 VW | gas | 2952 S | liq. | ||
| a' | 3 | C=O str | 1870 | C | 1870 VS | gas | 1847 S | liq. | ||
| a' | 4 | CH3 d-deform | 1440 | C | 1440 W | gas | 1440 W | liq. | ||
| a' | 5 | CH3 s-deform | 1378 | C | 1378 M | gas | 1379 W | liq. | ||
| a' | 6 | CF str | 1188 | C | 1188 VS | gas | 1178 VW | liq. | ||
| a' | 7 | CH3 rock | 1000 | C | 1000 M | gas | 1003 M | liq. | ||
| a' | 8 | CC str | 826 | C | 826 S | gas | 822 S | liq. | ||
| a' | 9 | OCF deform | 598 | C | 598 W | gas | 602 M | liq. | ||
| a' | 10 | OCF deform | 420 | D | 420 VW | gas | 428 W | liq. | ||
| a | 11 | CH3 d-str | 3004 | C | 3004 W | gas | 3004 VW | liq. | ||
| a | 12 | CH3 d-deform | 1437 | D | 1437 W | gas | 1440 W | liq. | ||
| a | 13 | CH3 rock | 1054 | C | 1054 M | gas | ||||
| a | 14 | C=O op-bend | 567 | C | 567 W | gas | 573 W | liq. | ||
| a | 15 | CH3 torsion | 123 | E | CF | |||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| 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 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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