On the π Coordination of Organometallic Fullerene Complexes

Molecules

Bertha Molina¹  Liliana Pérez-Manriquez¹ 

[1] ¹Facultad de Ciencias, Universidad Nacional Autonoma de México, Apdo. Post 70-646, Coyoacán 04510, Mexico ²Instituto de Investigaciones en Materiales, Universidad Nacional Autónoma de México, Circuito exterior s/n, ciudad universitaria, Coyoacán 04510, Mexico

关键词: C₈₀;    organometallic complexes;    theoretical calculations;   

DOI  :  10.3390/molecules16064652

来源: mdpi

【 摘 要 】

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.

【 授权许可】

CC BY   
This is an open access article distributed under the Creative Commons Attribution License (CC BY) which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.