Comparison between experimental and theoretical scales of electrophilicity in benzhydryl cations

Patricia Pérez, Alejandro Toro-Labbé, Arie Aizman, Renato Contreras

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137 Citations (Scopus)

Abstract

The theoretical electrophilicity pattern of a series of benzhydryl cations as described in terms of a model based on global reactivity indexes is compared with an experimental scale recently proposed by Mayr et al. [J. Am. Chem. Soc. 2001, 123, 9500]. A good correlation between both theoretical and experimental quantities is found. The effect of chemical substitution on the electrophilic power of these charged electrophiles may also be assessed as local responses at the active site, in terms of a global contribution described by changes in global electrophilicity with reference to the dianisylcarbenium ion, and a local contribution described by the variations in electrophilic Fukui function at that site.

Original languageEnglish
Pages (from-to)4747-4752
Number of pages6
JournalJournal of Organic Chemistry
Volume67
Issue number14
DOIs
Publication statusPublished - 12 Jul 2002

ASJC Scopus subject areas

  • Organic Chemistry

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