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

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.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0007-B750-0 Version Permalink: http://hdl.handle.net/21.11116/0000-0007-B751-F
Genre: Journal Article

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 Creators:
Gallo, Erik1, 2, 3, Author
Bonino, Francesca2, Author
Swarbrick, Janine C.1, Author
Petrenko, Taras4, Author              
Piovano, Andrea5, Author
Bordiga, Silvia2, Author
Gianolio, Diego2, 6, Author
Groppo, Elena2, Author
Neese, Frank7, Author              
Lamberti, Carlo2, Author
Glatzel, Pieter1, Author
Affiliations:
1European Synchrotron Radiation Facility (ESRF), 6 Rue Jules Horowitz, 38043 Grenoble (France), ou_persistent22              
2Department of Inorganic, Physical and Materials Chemistry, INSTM Reference Center and NIS Centre of Excellence, Università di Torino, Via P. Giuria 7, 10125 Torino (Italy), ou_persistent22              
3Sciences Chimiques de Rennes ‐ UMR 6226, Matériaux Inorganiques: Chimie Douce et réactivité Université de Rennes 1, Campus de Beaulieu, Bât 10B, 35042 Rennes (France), ou_persistent22              
4Research Department Wieghardt, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society, ou_3023881              
5Institut Laue‐Langevin (ILL), 6 Rue Jules Horowitz, 38043 Grenoble (France), ou_persistent22              
6Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE, United Kingdom, ou_persistent22              
7Research Department Neese, Max Planck Institute for Bioinorganic Chemistry, Max Planck Society, ou_3023879              

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Free keywords: absorption; coordination modes; density functional theory; Ti silicalite-1; X-ray emission spectroscopy
 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).

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Language(s): eng - English
 Dates: 2012-10-292012-11-262013-01-14
 Publication Status: Published in print
 Pages: 5
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: DOI: 10.1002/cphc.201200893
 Degree: -

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Title: ChemPhysChem
Source Genre: Journal
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Publ. Info: Weinheim, Germany : Wiley-VCH
Pages: - Volume / Issue: 14 (1) Sequence Number: - Start / End Page: 79 - 83 Identifier: ISSN: 1439-4235
CoNE: https://pure.mpg.de/cone/journals/resource/954925409790