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
- 29 August 2002
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 106 (38) , 9892-9905
- https://doi.org/10.1021/jp026106t
Abstract
No abstract availableThis publication has 74 references indexed in Scilit:
- Reactivity of Ti(IV) sites in Ti-zeolites: An embedded cluster approachThe Journal of Chemical Physics, 2002
- The effect of hydration on structure and location of Ti-sites in Ti-silicalite catalysts. A computational studyPhysical Chemistry Chemical Physics, 2000
- UV Resonance Raman Spectroscopic Identification of Titanium Atoms in the Framework of TS-1 ZeoliteAngewandte Chemie International Edition in English, 1999
- Mono-, Di-, and Tricarbonylic Species in Copper(I)-Exchanged Zeolite ZSM-5: Comparison with Homogeneous Copper(I) Carbonylic StructuresThe Journal of Physical Chemistry B, 1999
- Structural Characterization of Ti-Silicalite-1: A Synchrotron Radiation X-Ray Powder Diffraction StudyJournal of Catalysis, 1999
- Catalytic Activity of Titanium Silicalites—a DFT StudyJournal of Catalysis, 1998
- A Combination of the Monte Carlo Method and Molecular Mechanics Calculations: A Novel Way To Study the Ti(IV) Distribution in Titanium Silicalite-1The Journal of Physical Chemistry B, 1997
- Structural and Physicochemical Features of Titanium SilicalitesCatalysis Reviews, 1997
- Computational and EXAFS Study of the Nature of the Ti(IV) Active Sites in Mesoporous Titanosilicate CatalystsThe Journal of Physical Chemistry B, 1997
- Theoretical insights on the mechanism of alkene epoxidation by H2O2 with titanium silicaliteChemical Communications, 1996