Electrochemistry and Ab Initio Study of the Dimetallofullerene La_2@C_(80)

摘要

Metallofullerenes arc fullerene derivatives that contain some metals inside their cages. Although their structures, including the cage structures and the positions of the metals, have not yet been determined, the recent development of methods for purifying metallofullerenes allows more advanced studies of these new molecules. Theoretical calculations suggest that their electronic structures are significantly changed by electron transfer from highly electropositive metals to the electronegative carboncages.