mCl-phenide anion
- Formula: C6H4Cl-
- Molecular weight: 111.550
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Reaction thermochemistry data
Go To: Top, Gas phase ion energetics 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
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
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. |
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 |
---|---|---|---|
1.57 ± 0.15 | D-EA | Wenthold and Squires, 1995 |
Protonation reactions
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, 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.
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, 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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