Aromaticity and electronic structure of silabenzenes. Possible existence of a new cluster Si6Li6

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Aromaticity and electronic structure of silabenzenes. Possible existence of a new cluster Si6Li6

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Aromaticity and electronic structure of silabenzenes. Possible existence of a new cluster Si6Li6

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Título: Aromaticity and electronic structure of silabenzenes. Possible existence of a new cluster Si6Li6
Autor: Santos, Juan C.; Fuentealba, Patricio
Resumen: The electronic structure and properties of a silabenzene series have been studied using a bifurcation analysis of the sigma and pi separated new electron localization functions, ELF. In all studied molecules a strong pi interaction has been found which is independent of a weak sigma interaction. Finally, a new aromatic species, Si6Li6, is reported. Its electronic delocalization and stability is evaluated by cation-aromatic system interaction. (C) 2007 Elsevier B.V. All rights reserved.
Descripción: Publicación ISIEmail : jsantos@unab.cl
URI: http://www.captura.uchile.cl/handle/2250/4951
Fecha: 2007
Cita del item: CHEMICAL PHYSICS LETTERS Vol. 443 AUG 6 2007 04/06/2008 439-442


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