Synthesis, characterization, and catalytic properties of γ-Al 2O3-supported zirconium hydrides through a combined use of surface organometallic chemistry and periodic calculations

Jérôme Joubert, Françoise Delbecq, Chloé Thieuleux, Mostafa Taoufik, Frédéric Blanc, Christophe Copéret, Jean Thivolle-Cazat, Jean-Marie Maurice Basset*, Philippe Sautet

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

25 Scopus citations

Abstract

The treatment of the alumina-supported [Zr(CH2tBu)4], [(AlsO)2Zr(CH2fBu)+(tBuCH 2)Als-], where Als stands for surface aluminum atoms, by H2 yields a mixture of alumina-supported zirconium hydride species, [(AlsO)2Zr(H)(μ-H)Al VI] and [(AlsO)2Zr(H)(μ-R)AlVI], along with cationic [(AlsO)2Zr(H)]+ in the vicinity of anionic tetrahedral aluminum hydrides [AlIV-H -] according to mass balance analysis, reactivity studies, IR spectroscopy, and periodic calculations. Initial and final selectivities in the hydrogenolysis of alkanes as well as DFT calculations show that β-alkyl transfer is the key carbon-carbon cleavage step.

Original languageEnglish (US)
Pages (from-to)3329-3335
Number of pages7
JournalOrganometallics
Volume26
Issue number14
DOIs
StatePublished - Jul 2 2007

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry

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