1,3-Butadiene-1-d1 (trans)
- Formula: C4H5D
- Molecular weight: 55.0966
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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 | CH2 a-str | 3100 | C | 3100.4 S | gas | 3090 M | sln. | ||
| a' | 2 | CH str | 3075 | D | 3075 W | sln. | ||||
| a' | 3 | CH str | 3048 | C | 3047.9 S | gas | ||||
| a' | 4 | CH str | 3021 | C | 3020.5 S | gas | ||||
| a' | 5 | CH2 s-str | 3003 | D | 3003 M | sln. | ||||
| a' | 6 | CD str | 2286 | C | 2285.9 M | gas | 2276 M | sln. | ||
| a' | 7 | C=C str | 1631 | D | 1631 VS | sln. | ||||
| a' | 8 | C=C str | 1580 | B | 1579.7 S | gas | 1572 M | sln. | ||
| a' | 9 | CH2 scis | 1409 | D | 1409 VW | sln. | ||||
| a' | 10 | CH ip-bend | 1304 | E | CF | |||||
| a' | 11 | CH ip-bend | 1288 | D | 1288 S | sln. | ||||
| a' | 12 | CH ip-bend | 1270 | C | 1270 M | gas | 1272 VW | sln. | ||
| a' | 13 | C-C str | 1183 | D | 1185 W | gas | 1183 S | sln. | ||
| a' | 14 | CH2 rock | 964 | D | 964 W | sln. | ||||
| a' | 15 | CD ip-bend | 793 | D | 793 W | sln. | ||||
| a' | 16 | CCC deform | 511 | D | 511 M | sln. | ||||
| a' | 17 | CCC deform | 288 | C | 288 VW | gas | ||||
| a | 18 | CH op-bend | 1008 | B | 1008.0 VS | gas | ||||
| a | 19 | CH op-bend | 960 | B | 959.9 S | gas | ||||
| a | 20 | CH2 wag | 909 | B | 908.6 VS | gas | 921 M | sln. | ||
| a | 21 | CH op-bend | 849 | B | 849.2 S | gas | 862 M | sln. | ||
| a | 22 | CH op-bend | 674 | C | 673.9 VW | gas | ||||
| a | 23 | CH2 twist | 464 | C | 464.0 W | gas | ||||
| a | 24 | C-C torsion | 161 | E | CF | |||||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very 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 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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