cyclohexanone enolate anion
- Formula: C6H9O-
- Molecular weight: 97.1356
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Gas phase ion energetics 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
Electron affinity of neutral species
| EAneutral (eV) | Method | Reference | Comment |
|---|---|---|---|
| 1.526 ± 0.010 | LPD | Brinkman, Berger, et al., 1993 | |
| 1.552 ± 0.052 | PD | Zimmerman, Jackson, et al., 1978 | |
| 1.42 ± 0.20 | D-EA | Brickhouse and Squires, 1988 | Between acetone, Me2C=NOH |
Protonation reactions
C6H9O- + =
By formula: C6H9O- + H+ = C6H10O
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 366.4 ± 2.0 | kcal/mol | D-EA | Brinkman, Berger, et al., 1993 | gas phase |
| ΔrH° | 365.8 ± 2.3 | kcal/mol | D-EA | Zimmerman, Jackson, et al., 1978 | gas phase |
| ΔrH° | 369.0 ± 4.2 | kcal/mol | G+TS | Brickhouse and Squires, 1988 | gas phase; Between acetone, Me2C=NOH |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 358.7 ± 2.3 | kcal/mol | H-TS | Brinkman, Berger, et al., 1993 | gas phase |
| ΔrG° | 358.0 ± 2.6 | kcal/mol | H-TS | Zimmerman, Jackson, et al., 1978 | gas phase |
| ΔrG° | 361.2 ± 4.0 | kcal/mol | IMRB | Brickhouse and Squires, 1988 | gas phase; Between acetone, Me2C=NOH |
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.
Brinkman, Berger, et al., 1993
Brinkman, E.A.; Berger, S.; Marks, J.; Brauman, J.I.,
Molecular Rotation and the Observation of Dipole-Bound States of Anions,
J. Chem. Phys., 1993, 99, 10, 7586, https://doi.org/10.1063/1.465688
. [all data]
Zimmerman, Jackson, et al., 1978
Zimmerman, A.H.; Jackson, R.L.; Janousek, B.K.; Brauman, J.J.,
Electron photodetachment from cyclic enolate anions in the gas phase: Electron affinities of cyclic enolate radicals,
J. Am. Chem. Soc., 1978, 100, 4674. [all data]
Brickhouse and Squires, 1988
Brickhouse, M.D.; Squires, R.R.,
Gas Phase Bronsted vs. Lewis Acid-Base Reactions of 6,6-Dimethylfulvene. A Sensitive Probe of the Electronic Structures of Organic Anions,
J. Am. Chem. Soc., 1988, 110, 9, 2706, https://doi.org/10.1021/ja00217a002
. [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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