Popular C82 Fullerene Cage Encapsulating a Divalent Metal Ion Sm(2+): Structure and Electrochemistry
2015
Abstract
Two Sm@C82 isomers have been well characterized for the first time by means of 13C NMR spectroscopy, and their structures were unambiguously determined as Sm@C2v(9)- C82 and Sm@C3v(7)-C82, respectively. A combined study of single crystal X-ray diffraction and theoretical calculations suggest that in Sm@C2v(9)-C82 the preferred Sm2+ ion position shall be located in a region slightly off the C2 axis of C2v(9)-C82.
Moreover, the electrochemical surveys on these Sm@C82 isomers reveal that their redox activities are mainly determined by the properties of their carbon cages.