| Autor: |
Kosaya MP; Chemistry Department, Lomonosov Moscow State University, Leninskie Gory, 1-3, 119991 Moscow, Russia., Yankova TS; Chemistry Department, Lomonosov Moscow State University, Leninskie Gory, 1-3, 119991 Moscow, Russia., Rybalchenko AV; Chemistry Department, Lomonosov Moscow State University, Leninskie Gory, 1-3, 119991 Moscow, Russia., Tamm NB; Chemistry Department, Lomonosov Moscow State University, Leninskie Gory, 1-3, 119991 Moscow, Russia., Ioffe IN; Chemistry Department, Lomonosov Moscow State University, Leninskie Gory, 1-3, 119991 Moscow, Russia., Lukonina NS; Chemistry Department, Lomonosov Moscow State University, Leninskie Gory, 1-3, 119991 Moscow, Russia., Belov NM; Chemistry Department, Lomonosov Moscow State University, Leninskie Gory, 1-3, 119991 Moscow, Russia., Goryunkov AA; Chemistry Department, Lomonosov Moscow State University, Leninskie Gory, 1-3, 119991 Moscow, Russia. |
| Abstrakt: |
We report a comprehensive study of a novel isomer of C 70 (CF 3 ) 12 , p 9 mp -C 70 (CF 3 ) 12 , whose electrochemical behavior differs from most of the other trifluoromethylated fullerenes. The addition pattern of p 9 mp -C 70 (CF 3 ) 12 is established by means of 19 F- 19 F COSY NMR spectroscopy and DFT calculations. Like p 7 mp -C 70 (CF 3 ) 10 , the new isomer p 9 mp -C 70 (CF 3 ) 12 undergoes dimerization to the [C 70 (CF 3 ) 12 ] 2 2- upon single-electron reduction. The electrochemical observations are supported by the DFT calculations of dimerization energy and the temperature dependence of the CW X-band EPR spectroscopy data. Experimentally determined dimerization energies of p 9 mp -C 70 (CF 3 ) 12 -• and p 7 mp -C 70 (CF 3 ) 10 -• in solution are ca -8 and -26 kJ mol -1 , respectively, in good correspondence with DFT data. |
