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Hydrogen-Induced Transition from Dissociative to Molecular Chemisorption of CO on Vanadium Clusters

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Contribution from Inorganic Chemistry and Catalysis, Department of Chemistry, Utrecht University, Sorbonnelaan 16, 3584 CA Utrecht, the Netherlands, Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany, and FOM Institute for Plasma Physics “Rijnhuizen”, Edisonbaan 14, 3439 MN Nieuwegein, The Netherlands
Cite this: J. Am. Chem. Soc. 2007, 129, 9, 2516–2520
Publication Date (Web):January 31, 2007
https://doi.org/10.1021/ja066261b
Copyright © 2007 American Chemical Society
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    Abstract

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    We report on the size-dependent interaction of carbon monoxide molecules with hydrogen covered vanadium clusters containing between 5 and 20 atoms. Structural information on these hydrogen covered vanadium clusters and their complexes with CO is obtained from infrared multiple photon dissociation spectroscopy, complemented with density functional theory calculations for the V5 to V9 cluster sizes. The non-dissociative or dissociative binding of CO on the metal clusters is detected by the presence or absence of the ν(CO) stretching band in the infrared spectra. It is found that the CO molecule dissociates on bare vanadium clusters, while it adsorbs intact on all saturated hydrogen covered V5-20+ clusters, with the distinctive exceptions of V5+, V9+, V11+, and V19+. We show that dissociative chemisorption is prevented when the potential binding sites of atomic C and O atoms are blocked by H atoms.

    †

     Utrecht University.

    *

    In papers with more than one author, the asterisk indicates the name of the author to whom inquiries about the paper should be addressed.

    ‡

     Fritz-Haber-Institut der Max-Planck-Gesellschaft.

    §

     FOM Institute for Plasma Physics “Rijnhuizen”.

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    IR-MPD spectra of VnHm+ and VnHmCO+ complexes with n = 10−20. Additional details of the DFT calculations. This material is available free of charge via the Internet at http://pubs.acs.org.

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