Crystal and molecular structures of trifluoromethyl derivatives of fullerenes C76 and C82

Trifluoromethyl derivatives of C76 and C82 were synthesized by the reaction of a mixture of higher fullerenes with trifluoroiodomethane followed by the separation by high-performance liquid chromatography. The crystal and molecular structures of C76(CF3)16 (two isomers) and crystal solvates of C76(CF3)18, C82(CF3)16, and C82(CF3)18 were determined by single-crystal X-ray diffraction using synchrotron radiation. The addition patterns of CF3 groups in the C76(CF3)14–18 and C82(CF3)16–18 molecules are discussed.