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Popular C82 fullerene cage encapsulating a divalent metal ion Sm(2+): structure and electrochemistry
Ziqi Hu1, Yajuan Hao, Zdeněk Slanina
1Beijing National Laboratory for Molecular Sciences, State Key Lab of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University , Beijing 100871, China.
Abstract:
Two Sm@C82 isomers have been well characterized for the first time by means of (13)C 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 Sm(2+) 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.
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