The S N mechanism in aromatic compounds. Part XXXIII. Kinetic and thermodynamic nucleophilicity in aromatic S N reactions, and thermodynamic basicity
- 1 January 1966
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Journal of the Chemical Society B: Physical Organic
- p. 299-309
- https://doi.org/10.1039/j29660000299
Abstract
A previously described method of calculation, using bond dissociation and solvation energies and electron affinities as the main terms, is elaborated and extended to calculate free energies of activation and reaction of a wide variety of aromatic SN reactions, and corresponding acid–base reactions. These have been tested in many cases against experimental data, with reasonable, often very good, agreement. Data are discussed in terms of kinetic and thermodynamic nucleophilicity and basicity. The procedure is considered generally applicable to exchange reactions in organic and inorganic systems.Keywords
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