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

Silvia Bordiga, Alessandro Damin, Francesca Bonino, Adriano Zecchina, Guido Spanò, Franco Rivetti, Vera Bolis, Carmelo Prestipino, Carlo Lamberti

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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.

Lingua originaleInglese
pagine (da-a)9892-9905
Numero di pagine14
RivistaJournal of Physical Chemistry B
Volume106
Numero di pubblicazione38
DOI
Stato di pubblicazionePubblicato - 26 set 2002
Pubblicato esternamente

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