V. M. Mamaev, I. P. Gloriozov, V. V. Simonyan, E. V. Zernova, A. V. Prisyajnuk, Yu. A. Ustynyuk, “A theoretical study of the mechanism of oxidative dihydrogen addition to palladium clusters”, Mendeleev Commun., 1997, Volume 7, Issue 6,Pages <nobr>246

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A theoretical study of the mechanism of oxidative dihydrogen addition to palladium clusters

V. M. Mamaev^a, I. P. Gloriozov^a, V. V. Simonyan^a, E. V. Zernova^a, A. V. Prisyajnuk^b, Yu. A. Ustynyuk^a

^a Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
^b Far Eastern Federal University, Vladivostok, Russian Federation

Abstract: The mechanism of dihydrogen oxidative addition to the simplest palladium cluster has been analysed within the framework of the reaction-path Hamiltonian approximation; a planar dihydride complex has been found to form without the potential energy barrier and intramolecular degenerate exchange of the protons in the complex has been investigated.

Language: English

DOI: 10.1070/MC1997v007n06ABEH000801