oBr-phenide anion
- Formula: C6H4Br-
- Molecular weight: 156.001
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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
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, 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, 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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