Thiophene-d4
- Formula: C4D4S
- Molecular weight: 88.164
- CAS Registry Number: 2036-39-7
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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: C2ν Symmetry Number σ = 2
| Sym. | No | Approximate | Selected Freq. | Infrared | Raman | Comments | ||||
|---|---|---|---|---|---|---|---|---|---|---|
| Species | type of mode | Value | Rating | Value | Phase | Value | Phase | |||
| a1 | 1 | CD str | 2343 | C | 2343 M | gas | 2326 | liq. | ||
| a1 | 2 | CD str | 2290 | C | 2290 M | gas | ||||
| a1 | 3 | ip-Ring II | 1376 | C | 1376 S | gas | 1372 p | liq. | ||
| a1 | 4 | ip-Ring III | 1248 | C | 1248 W | gas | 1240 | liq. | ||
| a1 | 5 | CD ip-bend | 896 | C | 896 M | gas | 891 p | liq. | ||
| a1 | 6 | CD ip-bend | 785 | C | 785 M | gas | 780 dp | liq. | ||
| a1 | 7 | ip-Ring IV | 731 | C | 731 VS | gas | 723 | liq. | ||
| a1 | 8 | ip-Ring VII | 585 | D | 585 VS | gas | 582 p | liq. | ||
| a2 | 9 | CD op-bend | 752 | E | 756 ia | sln. | 752 dp | liq. | SF(ν17) | |
| a2 | 10 | CD op-bend | 532 | D | ia | 532 dp | liq. | |||
| a2 | 11 | op-Ring I | 488 | D | ia | 488 | liq. | |||
| b1 | 12 | CD str | 2340 | E | Frequency was estimated from isotopic rule | |||||
| b1 | 13 | CD str | 2305 | C | 2305 M | gas | 2286 dp | liq. | ||
| b1 | 14 | ip-Ring I | 1459 | C | 1459 M | gas | ||||
| b1 | 15 | CD ip-bend | 1034 | C | 1034 S | gas | ||||
| b1 | 16 | CD ip-bend | 846 | C | 846 S | gas | 847 | liq. | ||
| b1 | 17 | ip-Ring V | 752 | D | 756 | sln. | 752 dp | liq. | ||
| b1 | 18 | ip-Ring VI | 712 | C | 712 W | gas | ||||
| b2 | 19 | CD op-bend | 684 | C | 684 VW | gas | 682 | liq. | ||
| b2 | 20 | CD op-bend | 531 | C | 531 VS | gas | ||||
| b2 | 21 | op-Ring II | 414 | C | 414 VW | gas | 411 | liq. | ||
Source: Shimanouchi, 1972
Notes
| VS | Very strong |
| S | Strong |
| M | Medium |
| W | Weak |
| VW | Very weak |
| ia | Inactive |
| p | Polarized |
| dp | Depolarized |
| SF | Calculation shows that the frequency approximately equals that of the vibration indicated in the 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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