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Reactions of photogenerated fluorine atoms with contaminant molecules trapped in solid argon 5. EPR spectroscopy of FC60. radical in solid argonстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Misochko E.Ya, Akimov A.V., Belov V.A., Tyurin D.A.
- Журнал: Russian Chemical Bulletin
- Том: 56
- Номер: 3
- Год издания: 2007
- Издательство: Springer Nature
- Местоположение издательства: Switzerland
- Первая страница: 438
- Последняя страница: 442
- DOI: 10.1007/s11172-007-0070-8
- Аннотация: Reactions of photogenerated fluorine atoms with C-60 fullerene molecules isolated in solid argon were studied by EPR spectroscopy in the temperature range from 15 to 25 K. Highly resolved anisotropic EPR spectrum of the FC60 center dot radical was obtained for the first time. The spectrum is characterized by low anisotropy of the g-tensor and by axially symmetric HFC tensor on F-19 nuclei. The parameters of the HFC tensor for F-19 magnetic nuclei were determined. The isotropic HFC constant A (iso) equals 202.8 MHz and the anisotropic magnetic dipole-dipole interaction constant A (dip) equals 51.8 MHz. Quantum chemical calculations of FC60 center dot stop radical showed that the PBE1/Lambda 22m method (PBE1 functional and the correlation triple-zeta basis sets augmented with polarization functions on inner atomic shells) provides good agreement between the theoretical magnetic parameters and experimental data. Specific features of the spin density distribution in the FC60 center dot radical are discussed.
- Добавил в систему: Тюрин Даниил Александрович