A theoretical study on the regioselectivity of 1,3-dipolar cycloadditions using DFT-based reactivity indexes

Author	dc.contributor.author	Aurell, M. José
Author	dc.contributor.author	Domingo, Luis R.	es_CL
Author	dc.contributor.author	Safont, Vincent S.	es_CL
Author	dc.contributor.author	Contreras Ramos, Renato	es_CL
Admission date	dc.date.accessioned	2007-05-04T14:52:12Z
Available date	dc.date.available	2007-05-04T14:52:12Z
Publication date	dc.date.issued	2004-12-06
Cita de ítem	dc.identifier.citation	TETRAHEDRON 60 (50): 11503-11509 DEC 6 2004	en
Identifier	dc.identifier.issn	0040-4020
Identifier	dc.identifier.uri	https://repositorio.uchile.cl/handle/2250/118590
Abstract	dc.description.abstract	The regioselectivity for a series of four 1,3-dipolar cycloaddition reactions has been studied using global and local reactivity indexes. The results of the theoretical analysis suggest that for asynchronous cycloadditions associated to polar processes, the regioselectivity is consistently explained by the most favorable two-center interactions between the highest nucleophilic and electrophilic sites of the reagents.	en
Lenguage	dc.language.iso	en	en
Publisher	dc.publisher	PERGAMON-ELSEVIER SCIENCE LTD	en
Keywords	dc.subject	DENSITY-FUNCTIONAL THEORY	en
Título	dc.title	A theoretical study on the regioselectivity of 1,3-dipolar cycloadditions using DFT-based reactivity indexes	en
Document type	dc.type	Artículo de revista