L. Yu. Ustynyuk, Yu. A. Ustynyuk, V. V. Lunin, “DFT study of new binuclear zirconium(IV) hydride complexes as prospective catalysts for alkane hydrogenolysis under mild conditions”, Mendeleev Commun., 20:6 (2010), 337

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Mendeleev Communications, 2010, Volume 20, Issue 6, Pages 337–339
DOI: https://doi.org/10.1016/j.mencom.2010.11.012 (Mi mendc3085)

This article is cited in 3 scientific papers (total in 3 papers)

DFT study of new binuclear zirconium(IV) hydride complexes as prospective catalysts for alkane hydrogenolysis under mild conditions

L. Yu. Ustynyuk, Yu. A. Ustynyuk, V. V. Lunin

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

Full-text PDF (518 kB) Citations (3)

DOI: https://doi.org/10.1016/j.mencom.2010.11.012

Abstract: The results of DFT study of the reaction between binuclear Zr^IV hydride complex (≡SiO)₂(H)Zr(H)2Zr(H)(OSi≡)₂ and propane show that centres of this type would be more prospective catalysts for alkane hydrogenolysis under mild conditions (T<450K, P ∼ 1 atm) than previously studied mononuclear Zr^IV complexes.

Keywords: Zr hydrides, silica surface, alkane hydrogenolysis, quantum chemical calculations, DFT.

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Document Type: Article

Language: English

Citation: L. Yu. Ustynyuk, Yu. A. Ustynyuk, V. V. Lunin, “DFT study of new binuclear zirconium(IV) hydride complexes as prospective catalysts for alkane hydrogenolysis under mild conditions”, Mendeleev Commun., 20:6 (2010), 337–339

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https://www.mathnet.ru/eng/mendc3085

https://www.mathnet.ru/eng/mendc/v20/i6/p337

This publication is cited in the following 3 articles:

Citing articles in Google Scholar: Russian citations, English citations
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