Perpendicular Effects on Transition States. 2. Energy Profiles and Reaction Surfaces

Noam Agmon*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

7 Scopus citations

Abstract

It is shown how the free energy profiles along and perpendicular to the reaction coordinate determine a two-dimensional energy surface for describing substituent effects in organic reactivity. This affords a generalization of the hyperbolic-paraboloid surfaces, extendible to large energy variations. It also shows that the reaction surface and curve-crossing approaches lead to a similar mathematical description of the problem. The various models are compared with experimental results for free energy of activation of proton-transfer reactions between benzoic acids and methanol and of Cope and Claisen rearrangements.

Original languageEnglish
Pages (from-to)2192-2195
Number of pages4
JournalJournal of Organic Chemistry
Volume52
Issue number11
DOIs
StatePublished - 1 May 1987

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