artículo
Characterization of the intrinsic reactivity of halobenzenes in the framework of conceptual
Fecha
2008Registro en:
10.1590/S0100-40422008000500057
1678-7064
0100-4042
WOS:000259122200057
Autor
Moncada, Jose Luis
Moran, Guillermo Salgado
Institución
Resumen
The aim of this paper is to study the family of halobenzenes for characterizing their intrinsic reactivity and-in this way to establish a rational order of the intrinsic reactivity of this family of molecules in the electrophilic aromatic substitution. This study was carried out in the framework of Density Functional Theory which provides a global and local index that can be used in the characterization of the reactivity. This index is related to some concept derivatives of experimental chemistry, being a good approach to the characterization of halobenzenes.