Methane oxidative addition to Pt(Cl) 2(PH 3) 2 and Pt(Cl) 2(PH 3) complexesстатья
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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