ИСТИНА

The sample of S6-С60(CF3)12 was synthesized and purified for reliable experimental investigation. The sample was characterized by elemental analysis, IR, UV/Vis, NMR 19F, Raman spectra and X-ray powder diffraction data. The energy of combustion of S6-С60(CF3)12 in oxygen was determined in a rotating-bomb isoperibolic calorimeter. The heat capacity of S6-С60(CF3)12 was determined in a fully automated set-up - a vacuum adiabatic calorimeter. The standard thermodynamic functions (changes of the entropy, enthalpy, and Gibbs energy) were obtained for the crystal state in the temperature intervals studied. The functions of the formation were also calculated for the crystal state. The enthalpy of formation of C60(CF3)n, n = (2–18) were estimated by method of isodesmic reactions. These experimental thermochemical data enabled estimation of the formation energy for a broad range of other trifluoromethylated compounds C60(CF3)n, with n = (2–18), on the basis of their DFT calculated relative energies.