mCl-phenide anion
- Formula: C6H4Cl-
- Molecular weight: 111.550
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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 |
|---|---|---|---|
| 1.57 ± 0.15 | D-EA | Wenthold and Squires, 1995 |
Protonation reactions
C6H4Cl- + =
By formula: C6H4Cl- + H+ = C6H5Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 391.0 ± 1.9 | kcal/mol | Bran | Wenthold and Squires, 1995 | gas phase |
| ΔrH° | 390.2 ± 2.1 | kcal/mol | G+TS | Wenthold and Squires, 1994 | gas phase; between furan, pyridine |
| ΔrH° | 390.2 ± 2.1 | kcal/mol | G+TS | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring. |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 382.8 ± 2.0 | kcal/mol | H-TS | Wenthold and Squires, 1995 | gas phase |
| ΔrG° | 382.0 ± 2.0 | kcal/mol | IMRB | Wenthold and Squires, 1994 | gas phase; between furan, pyridine |
| ΔrG° | 382.0 ± 2.0 | kcal/mol | IMRB | Wenthold, Paulino, et al., 1991 | gas phase; Between H2O, furan. Wenthold and Squires, 1994 indicates isomerization occuring. |
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.
Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R.,
Determination of the gas-phase acidities of halogen-substituted aromatic compounds using the silane-cleavage method,
J. Mass Spectrom., 1995, 30, 1, 17, https://doi.org/10.1002/jms.1190300105
. [all data]
Wenthold and Squires, 1994
Wenthold, P.G.; Squires, R.R.,
Gas-phase properties and reactivity of the acetate radical anion. Determination of the C-H bond strengths in acetic acid and acetate ion,
J. Am. Chem. Soc., 1994, 116, 26, 11890, https://doi.org/10.1021/ja00105a032
. [all data]
Wenthold, Paulino, et al., 1991
Wenthold, P.G.; Paulino, J.A.; Squires, R.R.,
The Absolute Heats of Formation of ortho-Benzyne, meta-Benzyne, and para-Benzyne,
J. Am. Chem. Soc., 1991, 113, 19, 7414, https://doi.org/10.1021/ja00019a044
. [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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