Three Isolated-Pentagon-Rule Isomers Of C-96 Fullerene Isolated As Trifluoromethyl Derivatives

The family of experimentally confirmed isolated-pentagon-rule (IPR) isomers of C-96 fullerene is extended by trifluoromethylation of a C-96 fraction of the fullerene soot, high-performance liquid chromatography separation of CF3 derivatives, and a single-crystal X-ray diffraction study of C-96(CF3), compounds with the use of synchrotron radiation. New cage isomers were revealed in C-96(94)(CF3)(n) and C-96(182)(CF3)18 compounds, whereas isomer C-96(181), previously known in the adduct with nickel porphyrinate, was confirmed in C-96(181)(CF3)(18/20) derivatives. Common and special features of the addition patterns of CF3 groups on C-96 carbon cages are discussed in more detail. The investigated isomers belong to the most stable C-2-C-96(181) and slightly less stable C-1-C-96(94) and C-2-C-96(182) among the altogether 15 experimentally confirmed IPR isomers of C-96 fullerene.