Synthesis, structure and theoretical study of mixed fluoro-trifluoromethyl derivatives of C60. Molecular structures of C60F18(CF3)6 and C60F16(CF3)6.
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.
Troyanov
Sergey I
SI
Chemistry Department, Moscow State University, Moscow, 119991, Russia. stroyano@thermo.chem.msu.ru
Goryunkov
Alexey A
AA
Tamm
Nadezhda B
NB
Markov
Vitaliy Yu
VY
Ioffe
Ilya N
IN
Sidorov
Lev N
LN