1,3-Butadiene, 1,1,4,4-tetradeutero-, (E)-
- Formula: C4H2D4
- Molecular weight: 58.1151
- CAS Registry Number: 10545-58-1
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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: C2h Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| ag | 1 | CH str | 3010 | D | ia | 3010 M | sln. | |||
| ag | 2 | CD2 a-str | 2315 | D | ia | 2315 S | sln. | |||
| ag | 3 | CD2 s-str | 2212 | D | ia | 2212 S | sln. | |||
| ag | 4 | C=C str | 1610 | D | ia | 1610 VS | sln. | |||
| ag | 5 | CH ip-bend | 1296 | D | ia | 1296 S | sln. | |||
| ag | 6 | C-C str | 1170 | D | ia | 1170 S | sln. | |||
| ag | 7 | CD2 scis | 1040 | D | ia | 1040 S | sln. | |||
| ag | 8 | CD2 rock | 740 | D | ia | 740 W | sln. | |||
| ag | 9 | CCC deform | 457 | D | ia | 457 S | sln. | |||
| au | 10 | CH op-bend | 955 | B | 955.1 S | gas | ia | |||
| au | 11 | CD2 wag | 728 | B | 728.0 VS | gas | ia | |||
| au | 12 | CD2 twist | 397 | C | 397 W | gas | ia | |||
| au | 13 | C-C torsion | 149 | E | ia | CF | ||||
| bg | 14 | CH op-bend | 948 | D | ia | 948 M | sln. | |||
| bg | 15 | CD2 wag | 728 | D | ia | 728 S | sln. | |||
| bg | 16 | CD2 twist | 610 | D | ia | 610 VW | sln. | |||
| bu | 17 | CH str | 3041 | C | 3040.8 S | gas | ia | |||
| bu | 18 | CD2 a-str | 2350 | D | 2350 S | gas | ia | |||
| bu | 19 | CD2 s-str | 2228 | C | 2228 S | gas | ia | |||
| bu | 20 | C=C str | 1535 | B | 1535.0 S | gas | ia | |||
| bu | 21 | CH ip-bend | 1335 | C | 1335.2 M | gas | ia | |||
| bu | 22 | CD2 scis | 1031 | C | 1031.3 S | gas | ia | |||
| bu | 23 | CD2 rock | 817 | C | 816.5 M | gas | ia | |||
| bu | 24 | CCC deform | 258 | C | 258 W | gas | ia | |||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| ia | Inactive |
| 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
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