Intrinsic relative scales of electrophilicity and nucleophilicity

Resultado de la investigación: Contribución a una revistaArtículo

14 Citas (Scopus)

Resumen

The formulation of the second-order perturbation approach to the stabilization energy of the A-B interacting species due to charge transfer is revisited. Intrinsic (i.e., electronic) theoretical indices for both relative electrophilicity and nucleophilicity are proposed for any electrophile (A)-nucleophile (B) pairs of combining species. By using the new descriptors, an electronic analogue to the Mayr-Patz linear free relationship has been successfully tested in the context of available experimental evidence reported for reactions of primary and secondary amines with benzhydrylium ions.

Idioma originalInglés
Páginas (desde-hasta)2636-2643
Número de páginas8
PublicaciónJournal of Physical Chemistry A
Volumen117
N.º12
DOI
EstadoPublicada - 28 mar 2013

Áreas temáticas de ASJC Scopus

  • Química física y teórica

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