|
ИСТИНА |
Войти в систему Регистрация |
ИСТИНА ЦЭМИ РАН |
||
Electrochemically Induced Dimerization of p9mp-C70(CF3)12 Trifluoromethylated Fullereneстатья
- Авторы: Kosaya M.P., Yankova T.S., Rybalchenko A.V., Tamm N.B., Ioffe I.N., Lukonina N.S., Belov N.M., Goryunkov A.A.
- Журнал: The Journal of Physical Chemistry A: Molecules, Clusters, and Aerosols
- Том: 125
- Номер: 36
- Год издания: 2021
- Издательство: American Chemical Society
- Местоположение издательства: United States
- Первая страница: 7876
- Последняя страница: 7883
- DOI: 10.1021/acs.jpca.1c05656
- Аннотация: 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)12 is established by means of 19F–19F COSY NMR spectroscopy and DFT calculations. Like p7mp-C70(CF3)10, the new isomer p9mp-C70(CF3)12 undergoes 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.
- Добавил в систему: Косая Мария Петровна