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Preference towards Five-Coordination in Ti Silicalite-1 upon Molecular Adsorption

Authors

  • Erik Gallo,

    1. European Synchrotron Radiation Facility (ESRF), 6 Rue Jules Horowitz, 38043 Grenoble (France)
    2. Department of Inorganic, Physical and Materials Chemistry, INSTM Reference Center and NIS Centre of Excellence, Università di Torino, Via P. Giuria 7, 10125 Torino (Italy)
    3. Sciences Chimiques de Rennes - UMR 6226, Matériaux Inorganiques: Chimie Douce et réactivité Université de Rennes 1, Campus de Beaulieu, Bât 10B, 35042 Rennes (France)
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  • Dr. Francesca Bonino,

    1. Department of Inorganic, Physical and Materials Chemistry, INSTM Reference Center and NIS Centre of Excellence, Università di Torino, Via P. Giuria 7, 10125 Torino (Italy)
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  • Dr. Janine C. Swarbrick,

    1. European Synchrotron Radiation Facility (ESRF), 6 Rue Jules Horowitz, 38043 Grenoble (France)
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  • Dr. Taras Petrenko,

    1. Max-Planck Institute for Bioinorganic Chemistry, Stiftstr. 34-36, 45470 Mülheim an der Ruhr (Germany)
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  • Dr. Andrea Piovano,

    1. Institut Laue-Langevin (ILL), 6 Rue Jules Horowitz, 38043 Grenoble (France)
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  • Prof. Silvia Bordiga,

    1. Department of Inorganic, Physical and Materials Chemistry, INSTM Reference Center and NIS Centre of Excellence, Università di Torino, Via P. Giuria 7, 10125 Torino (Italy)
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  • Dr. Diego Gianolio,

    1. Department of Inorganic, Physical and Materials Chemistry, INSTM Reference Center and NIS Centre of Excellence, Università di Torino, Via P. Giuria 7, 10125 Torino (Italy)
    2. Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom
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  • Dr. Elena Groppo,

    1. Department of Inorganic, Physical and Materials Chemistry, INSTM Reference Center and NIS Centre of Excellence, Università di Torino, Via P. Giuria 7, 10125 Torino (Italy)
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  • Prof. Frank Neese,

    1. Max-Planck Institute for Bioinorganic Chemistry, Stiftstr. 34-36, 45470 Mülheim an der Ruhr (Germany)
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  • Prof. Carlo Lamberti,

    Corresponding author
    1. Department of Inorganic, Physical and Materials Chemistry, INSTM Reference Center and NIS Centre of Excellence, Università di Torino, Via P. Giuria 7, 10125 Torino (Italy)
    • Department of Inorganic, Physical and Materials Chemistry, INSTM Reference Center and NIS Centre of Excellence, Università di Torino, Via P. Giuria 7, 10125 Torino (Italy)
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  • Dr. Pieter Glatzel

    Corresponding author
    1. European Synchrotron Radiation Facility (ESRF), 6 Rue Jules Horowitz, 38043 Grenoble (France)
    • European Synchrotron Radiation Facility (ESRF), 6 Rue Jules Horowitz, 38043 Grenoble (France)
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Abstract

original image

One is enough! The changes of the electronic structure induced by the adsorption of water and ammonia in the catalyst titanium silicalite-1 (TS-1) are investigated by means of (resonant) valence-to-core X-ray emission spectroscopy. Based on spectra simulations using density functional theory it is concluded, contrary to the widely accepted view, that the Ti-sites of TS-1 can coordinate only one molecule of ammonia and water (see picture).

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