Original scientific paper

What is a Good Approximation for the Transition State of an SN2 Reaction?

Addy Pross ; Department of Chemistry, Ben Gurion University of the Negev, 84105 Beer Sheva, Israel
Sason Shaik ; The Institute of Chemistry, Organic Chemistry, The Hebrew University, Jerusalem 91904, Israel

Abstract

It has been previously proposed, based on a qualitative application of the Curve Crossing model, that the transition state for a reaction is found in the vicinity of the crossing point of reactant and product electronic configurations. Computational data on Sfj2 reactions are found to support this contention and the application of this result for the Leffler-Hammond postulate are discussed.

Keywords

Hrčak ID:

137122

URI

https://hrcak.srce.hr/137122

Publication date:

15.10.1992.

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