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Oxophilicity as a Descriptor for NO Cleavage Efficiency over Group IX Metal Clusters

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    Physical Insights into Chemistry, Catalysis, and Interfaces

    Oxophilicity as a Descriptor for NO Cleavage Efficiency over Group IX Metal Clusters
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    • Masato Yamaguchi
      Masato Yamaguchi
      Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8902, Japan
      More by Masato Yamaguchi
      Orcidhttp://orcid.org/0000-0002-2452-3784
    • Yufei Zhang
      Yufei Zhang
      Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8902, Japan
      More by Yufei Zhang
    • Satoshi Kudoh
      Satoshi Kudoh
      Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8902, Japan
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    • Kohei Koyama
      Kohei Koyama
      Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8902, Japan
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    • Olga V. Lushchikova
      Olga V. Lushchikova
      Radboud University, Institute for Molecules and Materials, FELIX Laboratory, 6525 ED Nijmegen, Netherlands
      More by Olga V. Lushchikova
      Orcidhttp://orcid.org/0000-0002-5699-6818
    • Joost M. Bakker
      Joost M. Bakker
      Radboud University, Institute for Molecules and Materials, FELIX Laboratory, 6525 ED Nijmegen, Netherlands
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    • Fumitaka Mafuné*
      Fumitaka Mafuné
      Department of Basic Science, Graduate School of Arts and Sciences, The University of Tokyo, Komaba, Meguro-ku, Tokyo 153-8902, Japan
      *Email: [email protected]. Phone: +81-3-54546597.
      More by Fumitaka Mafuné
      Orcidhttp://orcid.org/0000-0001-8860-6354
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    The Journal of Physical Chemistry Letters

    Cite this: J. Phys. Chem. Lett. 2020, 11, 11, 4408–4412
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jpclett.0c01133
    Published May 12, 2020
    Copyright © 2020 American Chemical Society
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    Abstract

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    Iridium and rhodium are group IX elements that can both catalytically reduce NO. To understand the difference in their reactivity toward NO, the adsorption forms of NO onto clusters of Ir and Rh are compared using vibrational spectra, recorded via infrared multiple-photon dissociation spectroscopy. The spectra give evidence for the existence of at least two specific adsorption forms. The main Ir6+NO isomer is one in which NO is dissociated, whereas one other is a local minimum structure in the reaction pathway leading to dissociative adsorption. In contrast to adsorption onto Rh6+, where less than 10% of the isomeric population was found in the global minimum associated with dissociative adsorption, a substantial fraction (about 50%) of NO dissociates on Ir6+. This higher efficiency is attributed to a considerably reduced activation barrier for dissociation on Ir6+. The key chemical property identified for dissociation efficiency is the cluster’s affinity to atomic oxygen.

    Copyright © 2020 American Chemical Society

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    Supporting Information

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    The Supporting Information is available free of charge at https://pubs.acs.org/doi/10.1021/acs.jpclett.0c01133.

    • Details of the experimental methods, computational methods, procedure of isomeric ratio estimation, histogram of isomers amounts to the relative energies, and geometries and IR spectra of low-lying isomers of Ir6NO+ (PDF)

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    Cited By

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    This article is cited by 25 publications.

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    The Journal of Physical Chemistry Letters

    Cite this: J. Phys. Chem. Lett. 2020, 11, 11, 4408–4412
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acs.jpclett.0c01133
    Published May 12, 2020
    Copyright © 2020 American Chemical Society
    Request reuse permissions

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