benzynide anion
- Formula: C6H3-
- Molecular weight: 75.0886
- IUPAC Standard InChI: InChI=1S/C6H3/c1-2-4-6-5-3-1/h1-3H/q-1
- IUPAC Standard InChIKey: WZBBFBWNGZILLY-UHFFFAOYSA-N
- Chemical structure:
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Gas phase ion energetics data
Go To: Top, 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 |
|---|---|---|---|
| 1.51 ± 0.27 | D-EA | Guo and Grabowski, 1991 | Acidity between MeOH and tBuOH, comparable to EtOH |
Protonation reactions
+
=
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 1584. ± 13. | kJ/mol | G+TS | Guo and Grabowski, 1991 | gas phase; Acidity between MeOH and tBuOH, comparable to EtOH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 1552. ± 13. | kJ/mol | IMRB | Guo and Grabowski, 1991 | gas phase; Acidity between MeOH and tBuOH, comparable to EtOH |
| ΔrG° | 1556. ± 21. | kJ/mol | IMRB | Gronert and DePuy, 1989 | gas phase |
References
Go To: Top, 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.
Guo and Grabowski, 1991
Guo, Y.L.; Grabowski, J.J.,
Reactions of the Benzyne Radical Anion in the Gas Phase, the Acidity of the Phenyl Radical, and the Heat of Formation of ortho-Benzyne,
J. Am. Chem. Soc., 1991, 113, 16, 5923, https://doi.org/10.1021/ja00016a001
. [all data]
Gronert and DePuy, 1989
Gronert, S.; DePuy, C.H.,
The Dehydrophenyl Anion and the Gas Phase Ion Chemistry of Benzyne,
J. Am. Chem. Soc., 1989, 111, 26, 9253, https://doi.org/10.1021/ja00208a032
. [all data]
Notes
Go To: Top, 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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