Este ítem es privado
A relation between different scales of electrophilicity are the scales consistent along a chemical reaction
Fecha
2012-05-25
Profe guía
Perfil ORCID
Título de la revista
ISSN de la revista
Título del volumen
Editor
American Chemical Society
ISBN
ISSN
1089-5639
ISSNe
DOI
Resumen
In this paper, a relationship is established between three
electrophilicity scales, namely, the electrophilicity index defined by Parr,
Liu, and von Szentpaly; the electron affinity; and the energy of the
lowest unoccupied molecular orbital (LUMO). Profiles of electrophilicity index and LUMO energies for different kinds of chemical
reactions are compared to verify if they remain consistent during a
whole chemical process. It appears that the electrophilicity index and the
LUMO energies are linearly correlated in almost all the cases. Besides
electrophilicity scales, profiles provide valuable information about the
charge-transfer stage of a chemical process.
Descripción
Lugar de Publicación
Sponsorship
Citación
Palabras clave
Licencia
Atribución-NoComercial-CompartirIgual 3.0 Chile (CC BY-NC-SA 3.0 CL)