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C<sub>82</sub> Fullerene Cage Encapsulating
a Divalent Metal Ion Sm<sup>2+</sup>: Structure and Electrochemistry
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Abstract
Two
Sm@C<sub>82</sub> isomers have been well characterized for
the first time by means of <sup>13</sup>C NMR spectroscopy, and their
structures were unambiguously determined as Sm@<i>C</i><sub><i>2v</i></sub><i>(9)</i>-C<sub>82</sub> and
Sm@<i>C</i><sub><i>3v</i></sub><i>(7)</i>-C<sub>82</sub>, respectively. A combined study of single crystal
X-ray diffraction and theoretical calculations suggest that in Sm@<i>C</i><sub><i>2v</i></sub><i>(9)</i>-C<sub>82</sub> the preferred Sm<sup>2+</sup> ion position shall be located
in a region slightly off the <i>C</i><sub>2</sub> axis of <i>C</i><sub><i>2v</i></sub><i>(9)</i>-C<sub>82</sub>. Moreover, the electrochemical surveys on these Sm@C<sub>82</sub> isomers reveal that their redox activities are mainly determined
by the properties of their carbon cages
