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Mechanism and efficiency of photochemical transformation of SiNNO center dot radicals grafted to activated Aerosil surface: Calculation of potential energy surface elements for the lower excited state of the radicalстатья
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: Pergushov V.I., Mel'nikov MY
- Журнал: High Energy Chemistry
- Том: 42
- Номер: 6
- Год издания: 2008
- Издательство: Pleiades Publishing, Ltd
- Местоположение издательства: Road Town, United Kingdom
- Первая страница: 442
- Последняя страница: 445
- DOI: 10.1134/S0018143908060040
- Аннотация: Assignment of the bands in the optical absorption spectrum of equivalent to SiNNO center dot radicals grafted to activated Aerosil surface was performed. A photochemical transformation mechanism was proposed, and the quantum yields of the reaction of equivalent to SiNNO center dot radicals relevant to the long-wavelength absorption band at 77 K were determined in the absence and presence of adsorbed CO(2) and SF(6) on the surface. For the model radical F(3)SiNNO center dot, the parameters characterizing the equilibrium geometry of excited states and the geometry of transition states involved in the reaction were determined by quantum-chemical calculations.
- Добавил в систему: Пергушов Владимир Иванович