Thiophene-d4
- Formula: C4D4S
- Molecular weight: 88.164
- CAS Registry Number: 2036-39-7
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Gas phase ion energetics data
Go To: Top, Vibrational and/or electronic energy levels, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference |
---|---|---|
8.874 ± 0.005 | S | DiLonardo, Galloni, et al., 1972 |
Vibrational and/or electronic energy levels
Go To: Top, Gas phase ion energetics data, References, Notes
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, Gas phase ion energetics data, 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.
DiLonardo, Galloni, et al., 1972
DiLonardo, G.; Galloni, G.; Trombetti, A.; Zauli, C.,
Electronic spectrum of thiophen and some deuterated thiophens,
J. Chem. Soc. Faraday Trans., 1972, 68, 2009. [all data]
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, Gas phase ion energetics data, Vibrational and/or electronic energy levels, References
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