Structural Study of Three Isomers of Tm@C82 by 13C NMR Spectroscopy

The 13C NMR spectra were measured for three isomers of Tm@C82, which is one of the divalent metallofullerenes. The molecular symmetries were determined for each isomer:  isomer I has Cs symmetry, isomer II has C2 symmetry, and isomer III has C2v symmetry. Moreover the cage structure of Tm@C82(III) was found to be C82(9). As a result, it was revealed that Tm@C82(III) has a cage identical to that of La@C82, which is one of the trivalent metallofullerenes.