Synthesis, Isolation and Structure of Trifluoromethylated Fullerene D3-C78, C78(1)(CF3)10-18.

High-temperature trifluoromethylation of fullerene C78 followed by HPLC separation of C78 (CF3)n derivatives resulted in the isolation and X-ray structural characterization of 15 compounds, that is, two C78(1)(CF3)10, three C78 (1)(CF3)12, four C78 (1)(CF3)14, and five C78 (1)(CF3)16 isomers as well as one isomer of C78(1)(CF3)18. The addition patterns of the C78(1)(CF3)n molecules are discussed in terms of trifluoromethylation pathways and relative formation energies.

Capturing an unstable C100 fullerene as chloride, C100(1)Cl12, with a nanotubular carbon cage.

The chlorination of a HPLC C100 fraction afforded C100(1)Cl12 with an unprecedented nanotubular carbon cage of a highly unstable D5d-C100 fullerene.

Synthesis, structure, and theoretical study of trifluoromethyl derivatives of C84(23) fullerene.

Trifluoromethylation of a higher fullerene mixture with CF3I was performed in ampoules at 550 °C. HPLC separation followed by crystal growth and X-ray diffraction study resulted in the structure elucidation of nine CF3 derivatives of D2d-C84 (isomer 23). The molecular structures of C84(23)(CF3)4, C84(23)(CF3)8, C84(23)(CF3)10, C84(23)(CF3)12, two isomers of C84(23)(CF3)14, two isomers of C84(23)(CF3)16, and C84(23)(CF3)18 were discussed in terms of their addition patterns and the relative formation energies.

Synthesis, structure, and theoretical study of trifluoromethyl derivatives of C84(22) fullerene.

Trifluoromethylation of higher fullerene mixtures with CF(3)I was performed in ampoules at 400 to 420 and 550 to 560 °C. HPLC separation followed by crystal growth and X-ray diffraction studies allowed the structure elucidation of nine CF(3) derivatives of D(2)-C(84) (isomer 22). Molecular structures of two isomers of C(84)(22)(CF(3))(12), two isomers of C(84)(22)(CF(3))(14), four isomers of C(84)(22)(CF(3))(16), and one isomer of C(84)(22)(CF(3))(20) were discussed in terms of their addition patterns and relative formation energies.