Structure-reactivity relationship in isolated Zr sites present in Zr-zeolite and ZrO2 for the Meerwein-Ponndorf-Verley reaction

The influence of the crystallographic phase of ZrO 2 on its catalytic performance in the MPV reduction of cyclohexanone with propan-2-ol has been systematically investigated by combining accurate synthesis procedures, XRD and HRTEM characterization, kinetic measurements and DFT calculations, and com...

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Bibliographic Details
Published inCatalysis science & technology Vol. 7; no. 13; pp. 2865 - 2873
Main Authors Gonell, Francisco, Boronat, Mercedes, Corma, Avelino
Format Journal Article
LanguageEnglish
Published 2017
Subjects
Catalysis
Catalysts
Crystallography
Multipurpose vehicles
Synthesis (chemistry)
Zeolites
Zirconium
Zirconium dioxide
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Summary:The influence of the crystallographic phase of ZrO 2 on its catalytic performance in the MPV reduction of cyclohexanone with propan-2-ol has been systematically investigated by combining accurate synthesis procedures, XRD and HRTEM characterization, kinetic measurements and DFT calculations, and compared to that of Zr-beta zeolite. The higher intrinsic activity of monoclinic zirconia as compared to other ZrO 2 phases is not due to a lower activation energy for the rate-determining step, but to an adequate distribution of reactant fragments on the catalyst surface, indicating a structure-activity relationship for this reaction when catalyzed by ZrO 2 and also by Zr-beta zeolite. Inexpensive and stable ZrO 2 catalysts for the MPV reaction have been obtained by controlling the crystallographic phase of the synthesized material. An adequate distribution of co-adsorbed reactants on the catalyst surface determines the activity of Zr-containing materials for the MPV reaction.
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ISSN:2044-4753
2044-4761
DOI:10.1039/c7cy00567a