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Title: | Prediction of Transition State Configuration in Concerted Reactions from the Energy Requirements of the Separate Processes |
Authors: | Critchlow, J. E. |
Keywords: | Chemistry Transition State Configuration Concerted Reactions Energy Requirements Reaction Mechanisms Journal of the Chemical Society : Faraday Transaction - I |
Issue Date: | 1972 |
Publisher: | Journal of the Chemical Society : Faraday Transaction - I. The Chemical Society, London. 1972, 68 (9) |
Abstract: | A simple method is presented for calculating the configuration and energy of the transition state in a concerted reaction from the energies required to form the intermediates of the hypothetical step-wise processes. The model is tested by comparison of predicted and observed structure-reactivity relations. Substitution in the attacking or leaving portion of a concerted reaction system should give rise to changes exclusively in the more remote bond and hence to a linear free energy relationship, while non-linear correlations are possible when substitution occurs in the central moiety. Taken n conjunction with experimental evidence, the model suggests that in carbonyl hydration reactions nucleophilic attack occurs synchronously with a single proton transfer. The conditions favouring bifunctional catalysis are discussed. |
URI: | http://dspace.bits-pilani.ac.in:8080/jspui/handle/123456789/16992 |
Appears in Collections: | Journal Articles (before-1995) |
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File | Description | Size | Format | |
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1774-1792.pdf Restricted Access | 1.23 MB | Adobe PDF | View/Open Request a copy |
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