| Autor: |
Kosaya, Maria P., Yankova, Tatiana S., Rybalchenko, Alexey V., Tamm, Nadezhda B., Ioffe, Ilya N., Lukonina, Natalia S., Belov, Nikita M., Goryunkov, Alexey A. |
| Zdroj: |
The Journal of Physical Chemistry - Part A; September 2021, Vol. 125 Issue: 36 p7876-7883, 8p |
| Abstrakt: |
We report a comprehensive study of a novel isomer of C70(CF3)12, p9mp-C70(CF3)12, whose electrochemical behavior differs from most of the other trifluoromethylated fullerenes. The addition pattern of p9mp-C70(CF3)12is established by means of 19F–19F COSY NMR spectroscopy and DFT calculations. Like p7mp-C70(CF3)10, the new isomer p9mp-C70(CF3)12undergoes dimerization to the [C70(CF3)12]22–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 p9mp-C70(CF3)12–•and p7mp-C70(CF3)10–•in solution are ca −8 and −26 kJ mol–1, respectively, in good correspondence with DFT data. |
| Databáze: |
Supplemental Index |
| Externí odkaz: |
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