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Journal Article

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

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Petrenko,  Taras
Research Department Wieghardt, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society;

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Neese,  Frank
Research Department Neese, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society;

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Citation

Gallo, E., Bonino, F., Swarbrick, J. C., Petrenko, T., Piovano, A., Bordiga, S., et al. (2013). Preference towards Five‐Coordination in Ti Silicalite‐1 upon Molecular Adsorption. ChemPhysChem, 14(1), 79-83. doi:10.1002/cphc.201200893.


Cite as: https://hdl.handle.net/21.11116/0000-0007-B750-0
Abstract
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).