V. M. Mamaev, I. P. Gloriozov, V. V. Simonyan, Yu. V. Babin, D. A. Lemenovskii, “A theoretical study of the mechanism of oxidative methane addition to the palladium ethylenediphosphine complex [H2P(CH2)2PH2]Pd with consideration for tunnelling”, Mendeleev Commun., 2000, Volume 10, Issue 4,Pages 155

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A theoretical study of the mechanism of oxidative methane addition to the palladium ethylenediphosphine complex [H₂P(CH₂)₂PH₂]Pd with consideration for tunnelling

V. M. Mamaev^a, I. P. Gloriozov^a, V. V. Simonyan^a, Yu. V. Babin^b, D. A. Lemenovskii^a

^a Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
^b Far Eastern State Academy of Economics and Management, Vladivostok, Russian Federation

Abstract: In terms of the reaction-path Hamiltonian formalism, tunnelling has been found to make the major contribution to the rate constant of methane activation by the title complex at T < 270 K.

Language: English

DOI: 10.1070/MC2000v010n04ABEH001241