Semiempirical and Ab Initio calculation of the molecular structures of substituted N-Benzoylimidazoles

Possible reasons of low reactivities of some N-(2-X-benzoyl) imidazoles utilising ab initio Hartree-Fock calculations have been studied in imidazole-catalyzed hydrolysis. The elucidation of its molecular structures display that the inhibition of resonance, between the carbonyl group and the aromatic...

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Bibliographic Details
Published in:	Semina: Ciências Exatas e Tecnológicas
Main Author:	Paulo Meneghelli
Format:	Article
Language:	English
Published:	Universidade Estadual de Londrina 2001-01-01
Subjects:	Benzoylimidazoles Steric effects Donor-acceptor interaction
Online Access:	http://www.uel.br/revistas/uel/index.php/semexatas/article/view/1526

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