COORDINATIONCOMPLEXESZEOLITESNH3One 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 ...
The 2 nm mesopores formed by pillaring have made MCM-36 an excellent acid catalyst for the bulky molecules encountered in reactions such as vacuum gasoil cracking, alkylation of iso-paraffins, or aromatics [8], [9]. Since the discovery of titanium silicalite-1 (TS-1) in 1983, Ti-...
et al. Acidity and Defect Sites in Titanium Silicalite Catalyst. Appl. Catal. A: General 337, 58–65 (2008). 65. Kresse, G. & Furthmuller, J. Efficiency of Ab-initio Total Energy Calculations for Metals and Semiconductors Using a Plane-wave Basis Set. Comput. Mater. Sci. 6, 15–50...
Different from other zeolites, Ti(IV) active sites in FER zeolites are hexa-coordinated as Sn(IV) active sites, due to the promoting effect of the first water. Lewis acidic defects expand Ti(IV) active sites to hexa-coordination while inhibit the formation of hepta-coordinated Sn(IV) ...
Given that wide industrial applications of titanium silicalite catalysts [24], their modification is of great significance for large-scale production of epoxidized MO as well as other fine chemicals in the future. Recently, many efforts have been devoted to improving the catalytic activity of ...
coordination. However, the pre-edge peak for ETS-10 was quite small and shifted in energy, which is consistent with the known octahedral structure surrounding Ti atoms in the material. Analysis of the EXAFS for ETS-10 revealed an average Ti-O interatomic distance of 2.00 +- 0.01 Å which...
coordinationmodesdensityfunctionaltheoryTisilicalite-1One 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 ...
The main results obtained by means of many physical methods (IR, Raman, UV-Vis and XAFS spectroscopies) concerning the structure of the Ti centre in titanium silicalite and the reaction intermediates in the ammoximation of cyclohexanone are concisely reviewed. The Ti is in tetrahedral coordination...
Anpo.“Hydrogen Bonding versus Coordination of Adsorbate Molecules on Ti-Silicalites: A Density Functional Theory Study”. J. Am. Chem. Soc . 2004Zhanpeisov, N. U. & Anpo, M. Hydrogen Bonding versus Coordination of Adsorbate Molecules on Ti-Silicalites: A Density Functional Theory Study...
Titanium Mesoporous materials Epoxidation 1. Introduction Enantiomerically pure epoxides are very useful synthetic intermediates in the synthesis of different biologically active compounds [1]. Classically, the two most important methods for the enantioselective epoxidation of alkenes include the use of homogen...