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Molecules 2011, 16(6), 4652-4659;

On the π Coordination of Organometallic Fullerene Complexes

Facultad de Ciencias, Universidad Nacional Autonoma de México, Apdo. Post 70-646, Coyoacán 04510, Mexico
Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito exterior s/n, ciudad universitaria, Coyoacán 04510, Mexico
Author to whom correspondence should be addressed.
Received: 29 April 2011 / Revised: 26 May 2011 / Accepted: 27 May 2011 / Published: 3 June 2011
(This article belongs to the Special Issue Organometallic Chemistry)
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Novel organometallic complexes of fullerene C80 and aryl ligands were simulated. The nature and characteristics of this family of complexes involving π coordination between the fullerene and a metal centre have been studied from a theoretical point of view. We are particularly interested in complexes where η6 coordination is present, this being the strangest manifestation of known coordinations, and thus we have studied several known and simulated compounds of this kind in order to understand the lack of examples. The presence of other η6 or η5 ligands on the opposite side seems to be an important element aiding the stabilization of these complexes, also inducing the conductive and semiconductive behaviour of the studied species. View Full-Text
Keywords: C80; organometallic complexes; theoretical calculations C80; organometallic complexes; theoretical calculations

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Molina, B.; Pérez-Manriquez, L.; Salcedo, R. On the π Coordination of Organometallic Fullerene Complexes. Molecules 2011, 16, 4652-4659.

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