oBr-phenide anion
- Formula: C6H4Br-
- Molecular weight: 156.001
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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
C6H4Br- + =
By formula: C6H4Br- + H+ = C6H5Br
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 387.2 ± 2.5 | kcal/mol | Bran | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes |
| ΔrH° | 384.0 ± 2.1 | kcal/mol | G+TS | Linnert and Riveros, 1994 | gas phase; Acidity between quinoline and benzonitrile |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 379.0 ± 2.6 | kcal/mol | H-TS | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes |
| ΔrG° | 375.8 ± 2.0 | kcal/mol | IMRB | Linnert and Riveros, 1994 | gas phase; Acidity between quinoline and benzonitrile |
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
Protonation reactions
C6H4Br- + =
By formula: C6H4Br- + H+ = C6H5Br
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 387.2 ± 2.5 | kcal/mol | Bran | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes |
| ΔrH° | 384.0 ± 2.1 | kcal/mol | G+TS | Linnert and Riveros, 1994 | gas phase; Acidity between quinoline and benzonitrile |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 379.0 ± 2.6 | kcal/mol | H-TS | Wenthold and Squires, 1995 | gas phase; By HO- cleavage of substituted silanes |
| ΔrG° | 375.8 ± 2.0 | kcal/mol | IMRB | Linnert and Riveros, 1994 | gas phase; Acidity between quinoline and benzonitrile |
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]
Linnert and Riveros, 1994
Linnert, H.V.; Riveros, J.M.,
Benzyne-related mechanisms in the gas phase ion molecule reactions of haloarenes,
Int. J. Mass Spectrom. Ion Proc., 1994, 140, 1, 163, https://doi.org/10.1016/0168-1176(94)04079-6
. [all data]
Notes
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, References
- Symbols used in this document:
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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