PhC(CN)2 anion
- Formula: C9H5N2-
- Molecular weight: 141.1499
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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
C9H5N2- + =
By formula: C9H5N2- + H+ = C9H6N2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 320.3 ± 2.1 | kcal/mol | G+TS | Koppel, Taft, et al., 1994 | gas phase |
| ΔrH° | 320.7 ± 2.1 | kcal/mol | G+TS | Taft and Bordwell, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 314.3 ± 2.0 | kcal/mol | IMRE | Koppel, Taft, et al., 1994 | gas phase |
| ΔrG° | 314.7 ± 2.0 | kcal/mol | IMRE | Taft and Bordwell, 1988 | gas phase |
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 |
|---|---|---|---|
| 3.05 ± 0.10 | D-EA | Koppel, Taft, et al., 1994 |
Protonation reactions
C9H5N2- + =
By formula: C9H5N2- + H+ = C9H6N2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 320.3 ± 2.1 | kcal/mol | G+TS | Koppel, Taft, et al., 1994 | gas phase |
| ΔrH° | 320.7 ± 2.1 | kcal/mol | G+TS | Taft and Bordwell, 1988 | gas phase |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 314.3 ± 2.0 | kcal/mol | IMRE | Koppel, Taft, et al., 1994 | gas phase |
| ΔrG° | 314.7 ± 2.0 | kcal/mol | IMRE | Taft and Bordwell, 1988 | gas phase |
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.
Koppel, Taft, et al., 1994
Koppel, I.A.; Taft, R.W.; Anvia, F.; Zhu, S.Z.; Hu, L.Q.; Sung, K.S.; Desmarteau, D.D.; Yagupolskii, L.M.,
The Gas-Phase Acidities of Very Strong Neutral Bronsted Acids,
J. Am. Chem. Soc., 1994, 116, 7, 3047, https://doi.org/10.1021/ja00086a038
. [all data]
Taft and Bordwell, 1988
Taft, R.W.; Bordwell, F.G.,
Structural and Solvent Effects Evaluated from Acidities Measured in Dimethyl Sulfoxide and in the Gas Phase,
Acc. Chem. Res., 1988, 21, 12, 463, https://doi.org/10.1021/ar00156a005
. [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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