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Preference towards five-coordination in Ti silicalite-1 upon molecular adsorption

DOI: 10.1002/cphc.201200893 DOI Help

Authors: Erik Gallo (European Synchrotron Radiation Facility (ESRF); Università di Torino; UMR 6226, Matériaux Inorganiques: Chimie Douce et réactivité Université de Rennes 1) , Francesca Bonino (Università di Torino) , Janine C. Swarbrick (European Synchrotron Radiation Facility (ESRF)) , Taras Petrenko (Max-Planck Institute for Bioinorganic Chemistry) , Andrea Piovano (Institut Laue-Langevin (ILL)) , Silvia Bordiga (Università di Torino) , Diego Gianolio (Diamond Light Source; Università di Torino) , Elena Groppo (Università di Torino) , Frank Neese (Max-Planck Institute for Bioinorganic Chemistry) , Carlo Lamberti (Università di Torino) , Pieter Glatzel (European Synchrotron Radiation Facility (ESRF))
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Chemphyschem , VOL 14 (1) , PAGES 79 - 83

State: Published (Approved)
Published: January 2013

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.

Journal Keywords: Adsorption; coordination modes; density functional theory; Ti silicalite-1; X-ray emission spectroscopy

Subject Areas: Chemistry

Facility: ID26 at ESRF

Added On: 09/03/2016 14:36

Discipline Tags:

Physical Chemistry Catalysis Chemistry

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