In this work we present an exhaustive, experimental and theoretical, investigation on the structural, vibrational, electronic, and energetic properties of TS-1 catalyst. The perturbation induced by adsorption of water and ammonia ligands, which represent two key molecules in the industrial processes catalyzed by TS-1, is also discussed in great detail on both experimental and computational ground. Theory and experiments allow us to present a picture able to describe in a satisfactory way the interaction of both molecules with Ti(IV) sites and with the hosting siliceous matrix.

Effect of interaction with H2O and NH3 on the vibrational, electronic, and energetic peculiarities of Ti(IV) centers TS-1 catalysts: A spectroscopic and computational study

BORDIGA, Silvia;DAMIN, Alessandro Ali;BONINO, Francesca Carla;ZECCHINA, Adriano;PRESTIPINO, Carmelo;LAMBERTI, Carlo
2002-01-01

Abstract

In this work we present an exhaustive, experimental and theoretical, investigation on the structural, vibrational, electronic, and energetic properties of TS-1 catalyst. The perturbation induced by adsorption of water and ammonia ligands, which represent two key molecules in the industrial processes catalyzed by TS-1, is also discussed in great detail on both experimental and computational ground. Theory and experiments allow us to present a picture able to describe in a satisfactory way the interaction of both molecules with Ti(IV) sites and with the hosting siliceous matrix.
2002
106
9892
9905
http://pubs.acs.org/cgi-bin/abstract.cgi/jpcbfk/2002/106/i38/abs/jp026106t.html
X-ray-absorption; neutron powder diffraction; hydrogen-peroxide; TI-silicalite; framework TI(IV)
S. BORDIGA; A. DAMIN; F. BONINO; A. ZECCHINA; G. SPANÒ; F. RIVETTI; V. BOLIS; C. PRESTIPINO; C. LAMBERTI
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2318/23097
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