methyl (2H)formate
- Formula: C2H3DO2
- Molecular weight: 61.0581
- CAS Registry Number: 23731-38-6
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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 | 3041 | C | 3041 M | gas | ||||
| a' | 2 | CH3 s-str | 2967 | C | 2967 S | gas | ||||
| a' | 3 | CD str | 2216 | C | 2216 S | gas | ||||
| a' | 4 | C=O str | 1739 | E | 1755 VS | gas | FR(2ν16) | |||
| a' | 4 | C=O str | 1739 | E | 1716 VS | gas | FR(2ν16) | |||
| a' | 5 | CH3 d-deform | 1448 | E | 1448 W | solid solid | ||||
| a' | 6 | CH3 s-deform | 1441 | D | 1441 M | gas | ||||
| a' | 7 | CD bend | 1048 | D | 1048 M | gas | ||||
| a' | 8 | C-O str | 1213 | C | 1213 VS | gas | ||||
| a' | 9 | CH3 rock | 1157 | D | 1157 VS | gas | ||||
| a' | 10 | O-CH3 str | 878 | C | 878 S | gas | ||||
| a' | 11 | OCO deform | 762 | C | 762 M | gas | ||||
| a' | 12 | COC deform | 315 | E | 315 M | gas | ||||
| a | 13 | CH3 d-str | 3007 | D | 3007 S | gas | ||||
| a | 14 | CH3 d-deform | 1440 | E | 1440 W | solid solid | ||||
| a | 15 | CH3 rock | 1164 | E | CF, OV(ν9) | |||||
| a | 16 | CD bend | 870 | E | CF, OV(ν10) | |||||
| a | 17 | C-O torsion | 290 | E | 290 M | gas | ||||
| a | 18 | CH3 torsion | 130 | E | CF | |||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| FR | Fermi resonance with an overtone or a combination tone indicated in the parentheses. |
| 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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