thiophenide anion
- Formula: C4H3S-
- Molecular weight: 83.132
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Reaction thermochemistry data
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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: John E. Bartmess
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Individual Reactions
C4H3S- + =
By formula: C4H3S- + H+ = C4H4S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 381.2 ± 3.1 | kcal/mol | G+TS | DePuy, Kass, et al., 1988 | gas phase; Between MeOH, EtOH. D exchange implies anion at C-2. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 373.0 ± 3.0 | kcal/mol | IMRB | DePuy, Kass, et al., 1988 | gas phase; Between MeOH, EtOH. D exchange implies anion at C-2. |
Gas phase ion energetics data
Go To: Top, Reaction thermochemistry 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: John E. Bartmess
Electron affinity of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| 2.050 ± 0.080 | LPES | Culberson and Sanov, 2011 |
Protonation reactions
C4H3S- + =
By formula: C4H3S- + H+ = C4H4S
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 381.2 ± 3.1 | kcal/mol | G+TS | DePuy, Kass, et al., 1988 | gas phase; Between MeOH, EtOH. D exchange implies anion at C-2. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 373.0 ± 3.0 | kcal/mol | IMRB | DePuy, Kass, et al., 1988 | gas phase; Between MeOH, EtOH. D exchange implies anion at C-2. |
References
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
DePuy, Kass, et al., 1988
DePuy, C.H.; Kass, S.R.; Bean, G.P.,
Formation and Reactions of Heteroaromatic Anions in the Gas Phase,
J. Org. Chem., 1988, 53, 19, 4427, https://doi.org/10.1021/jo00254a001
. [all data]
Culberson and Sanov, 2011
Culberson, L.M.; Sanov, A.,
Electronic states of thiophenyl and furanyl radicals and dissociation energy of thiophene via photoelectron imaging of negative ions,
J. Chem. Phys., 2011, 134, 20, 204306, https://doi.org/10.1063/1.3593275
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
EAneutral Electron affinity of neutral species ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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