Glyoxal-d1
- Formula: C2HDO2
- Molecular weight: 59.0422
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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 | CH str | 2835 | B | 2835.2 S | gas | ||||
a' | 2 | CD str | 2130 | B | 2130.2 S | gas | ||||
a' | 3 | CO s-str | 1735 | D | 1735 M | gas | ||||
a' | 4 | CO a-str | 1717 | C | 1717 VS | gas | ||||
a' | 5 | CH bend | 1335 | B | 1335.0 W | gas | ||||
a' | 6 | CC str | 1104 | E | CF | |||||
a' | 7 | CD bend | 972 | B | 971.6 M | gas | ||||
a' | 8 | CCO s-deform | 542 | D | 542 | gas | ( )From the analyses of electronic transitions | |||
a' | 9 | CCO a-deform | 323 | B | 323.7 S | gas | ||||
a | 10 | CH bend | 999 | D | 999 W | gas | ||||
a | 11 | CO bend | 688 | D | CF ( )From the product rule | |||||
a | 12 | Torsion | 124 | B | 123.9 W | gas | ||||
Source: Shimanouchi, 1972
Notes
VS | Very strong |
S | Strong |
M | Medium |
W | Weak |
CF | Calculated frequency |
B | 1~3 cm-1 uncertainty |
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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