Fukui function as a descriptor of the imidazolium protonated cation resonance hybrid structure.

作者信息

López Pablo, Méndez Francisco

机构信息

Departamento de Química, División de Ciencias Básicas e Ingeniería, Universidad Autónoma Metropolitana-Iztapalapa, A.P. 55-534, México, D.F., 09340 México.

出版信息

Org Lett. 2004 May 27;6(11):1781-3. doi: 10.1021/ol049454h.

DOI:10.1021/ol049454h

PMID:15151413

Abstract

The Lewis structures that contribute to the imidazolium protonated cation resonance hybrid can be explained in a unified way in terms of the Fukui function (density functional descriptor) and the local hard and soft acids and bases principle. The results obtained open the possibility of analyzing the resonance contributors and the resonance hybrid in terms of the electronic density. [structure--see text]

摘要