Title of article :
Higher trifluoromethylated derivatives of C60, C60(CF3)16 and C60(CF3)18: Synthesis, structure, and theoretical study
Author/Authors :
Troyanov، نويسنده , , Sergey I. and Goryunkov، نويسنده , , Alexey A. and Dorozhkin، نويسنده , , Eugenii I. and Ignat’eva، نويسنده , , Daria V. and Tamm، نويسنده , , Nadezhda B. and Avdoshenko، نويسنده , , Stanislav M. and Ioffe، نويسنده , , Ilya N. and Markov، نويسنده , , Vitalii Yu. and Sidorov، نويسنده , , Lev N. and Scheurel، نويسنده , , Kerstin and Kemnitz، نويسنده , , Erhard، نويسنده ,
Abstract :
Three isomers of C60(CF3)16 and one isomer of C60(CF3)18 have been isolated by HPLC from a mixture prepared by trifluoromethylation of C60 with CF3I in a glass ampoule at 380–400 °C. The molecular structures of the four new compounds have been determined by means of X-ray single crystal diffraction and discussed in terms of mechanistic pathways of their formation and relative stability according to the DFT calculations.
