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Methane oxidative addition to Pt(Cl) 2(PH 3) 2 and Pt(Cl) 2(PH 3) complexesстатья
Информация о цитировании статьи получена из
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Web of Science
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 18 июля 2013 г.
- Авторы: Avdeev V.I., Zhidomirov G.M.
- Журнал: Kinetics and Catalysis
- Том: 37
- Номер: 5
- Год издания: 1996
- Издательство: Maik Nauka/Interperiodica Publishing
- Местоположение издательства: Russian Federation
- Первая страница: 722
- Последняя страница: 731
- Аннотация: The interaction of methane with Pt(II) complexes is studied by ab initio quantum-chemical calculations. From the structures of the (CH 4)Pt(Cl) 2(PH 3) 2 complex, the conclusion is drawn that the three-center 14-electron Pt(Cl) 2(PH 3) intermediate (T-complex) can be formed in solvents with the participation of acids or through the thermal (photochemical) abstraction of a phosphine ligand from the 16-electron Pt(Cl) 2(PH 3) 2 complex. The calculated reaction path of methane oxidative addition to the T-complex predicts the existence of the stable (η 2-CH 4)Pt(Cl) 2(PH 3) complex with the heat of formation -ΔH ≈ 50 kJ/mol and the activation energy E* ≈ 54 kJ/mol. The structures and the vibrational spectra of possible stable compounds based on the T-complex as well as the structure and the vibrational frequencies of the transition state of this reaction are calculated. A molecular mechanism is suggested for methane activation on Pt(II) complexes. © 1996 MAEe cyrillic signK Hayκa/Interperiodica Publishing.
- Добавил в систему: Жидомиров Георгий Михайлович