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Thermodynamic properties of poly(trifluoromethyl)fullerenes C60(CF3)n, n = 2-18тезисы доклада Тезисы
- Авторы: Romanova N.A., Druzhinina A.I., Varuschenko R.M., Papina T.S., Luk’yanova V.A., Goryunkov A.A., Sidorov L.N.
- Сборник: Abstracts of the XX International Conference on Chemical Thermodynamics in Russia (RCCT-2015, June 22-26, 2015, Nizhni Novgorod)
- Тезисы
- Год издания: 2015
- Место издания: Lobachevsky State University of Nizhni Novgorod Nizhni Novgorod
- Первая страница: 162
- Аннотация: Investigations of thermodynamic properties of trifluoromethylfullerenes are significantly hampered by the fact that preparation of pure compounds in amounts required for thermodynamic studying is a rather difficult task. But in this work a trifluoromethylfullerene S6-С60(CF3)12 was synthesized using a three-section glass ampoule in gramme-scale amount sufficient for reliable experimental investigation. Sample of S6-С60(CF3)12 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. This system was also used for processing and collecting the heat capacity data. We determined the enthalpy of combustion of S6-С60(CF3 )12 in oxygen and its heat capacity, which made possible to derive the thermodynamic functions of S6-С60(CF3)12, namely enthalpy, entropy and Gibbs energy of formation at 298.15K. The enthalpy of formation of C60(CF3)n , n = (2–18) were estimated by method of isodesmic reactionsical 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.
- Добавил в систему: Горюнков Алексей Анатольевич