Transition state geometries and the magnitudes of SN2 barriers. A theoretical study

Sason S. Shaik*, H. Bernhard Schlegel, Saul Wolfe

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

28 Scopus citations

Abstract

For SN2 reactions of the type Y- + MeX → YMe + X-, there exist extended linear correlations between (i) the magnitude of the central barrier and the percentage elongation of the C-X bond in the transition state; (ii) the looseness of the transition state and the sum of the forward and reverse central barriers.

Original languageEnglish
Pages (from-to)1322-1323
Number of pages2
JournalChemical Communications
Issue number19
DOIs
StatePublished - 1988
Externally publishedYes

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