title: Synthesis, structure and theoretical study of mixed fluoro-trifluoromethyl derivatives of C60. Molecular structures of C60F18(CF3)6 and C60F16(CF3)6.
abstract: A series of novel mixed C60Fn(CF3)m compounds has been produced by trifluoromethylation of C60F18 with CF3I in ampoules at 380-420 degrees C. Two of these compounds, C60F18(CF3)6 and C60F16(CF3)6, have been characterized by X-ray crystallography, which has revealed addition of six CF3 groups to the C3v-C60F18 for the former and replacement/elimination of two outermost F atoms in the latter. Quantum chemical calculations have been employed to predict the most stable possible isomers of C60F16/18(CF3)6 in order to rationalize the experimental results.
authors.affiliation: Chemistry Department, Moscow State University, Moscow, 119991, Russia. stroyano@thermo.chem.msu.ru
authors.forename: Sergey I
authors.initials: SI
authors.lastname: Troyanov
authors.forename: Alexey A
authors.initials: AA
authors.lastname: Goryunkov
authors.forename: Nadezhda B
authors.initials: NB
authors.lastname: Tamm
authors.forename: Vitaliy Yu
authors.initials: VY
authors.lastname: Markov
authors.forename: Ilya N
authors.initials: IN
authors.lastname: Ioffe
authors.forename: Lev N
authors.initials: LN
authors.lastname: Sidorov