Crystal and molecular structures of trifluoromethyl derivatives of fullerenes C 76 and C 82

Trifluoromethyl derivatives of C 76 and C 82 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 C 76 (CF 3 ) 16 (two isomers) and crystal solvates of C 76 (CF 3 ) 18 , C 82 (CF 3 ) 16 , and C 82 (CF 3 ) 18 were determined by single-crystal X-ray diffraction using synchrotron radiation. The addition patterns of CF 3 groups in the C 76 (CF 3 ) 14–18 and C 82 (CF 3 ) 16–18 molecules are discussed.