D. V. Besedin, L. Yu. Ustynyuk, V. V. Lunin, “A theoretical DFT study of the mechanism of C–C bond hydrogenolysis in alkanes on silica-supported zirconium hydrides”, Mendeleev Commun., 2002, Volume 12, Issue 5,Pages <nobr>173

This article is cited in 17 papers

A theoretical DFT study of the mechanism of C–C bond hydrogenolysis in alkanes on silica-supported zirconium hydrides

D. V. Besedin, L. Yu. Ustynyuk, V. V. Lunin

Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation

Abstract: A DFT study of C–C bond hydrogenolysis in alkanes on silica-supported zirconium monohydrides (≡Si−O)₃ZrH and dihydrides (≡Si−O)₂ZrH₂ shows that only the latter are capable of catalysing this process under mild conditions.

Language: English

DOI: 10.1070/MC2002v012n05ABEH001645