Comparison between experimental and theoretical scales of electrophilicity in benzhydryl cations

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

Resultado de la investigación: Contribución a una revistaArtículorevisión exhaustiva

138 Citas (Scopus)

Resumen

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.

Idioma originalInglés
Páginas (desde-hasta)4747-4752
Número de páginas6
PublicaciónJournal of Organic Chemistry
Volumen67
N.º14
DOI
EstadoPublicada - 12 jul. 2002

Áreas temáticas de ASJC Scopus

  • Química orgánica

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