Photocatalytic oxidation of propylene with molecular oxygen over highly dispersed titanium, vanadium, and chromium oxides on silica
Article Abstract:
An investigation was conducted of the photocatalytic oxidation of propylene with molecular oxygen at room temperature over various silica-supported metal oxides with low loading. With the help of diffuse reflectance UV-vis spectroscopy (DRS) and electron spin resonance (ESR), it was revealed that the oxidation sdtate of the Ti(super 4+) species is stable during the photoreaction with C3H6 and O2, in contrast to V(super 5+) species.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
User Contributions:
Comment about this article or add new information about this topic:
Structures and reaction mechanisms of propene oxide isomerization on H-ZSM-5: An ONIOM study
Article Abstract:
The our-own-N-layered integrated molecular orbital + molecular mechanics (ONIOM) methods are used to investigate the isomerization mechanisms of propene oxide over 5T and 46T clusters of H-ZSM-5 zeolite. The results have shown that the 5T cluster is sufficient for determining the geometrical characters of the transition state, the intermediate, the reactant and the products of these small adsorbates.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
User Contributions:
Comment about this article or add new information about this topic:
Structures and reaction mechanisms of cumene formation via benzene alkylation with propylene in a newly synthesized ITQ-24 zeolite: An embedded ONIOM study
Article Abstract:
The cumene formation through benzene alkylation with propylene on the new three-dimensional nanoporous catalyst, ITQ-24 zeolite, is investigated by using the ONIOM(B3LYP/6-31G9d,p):UFF) method. It is observed that the electrostatic potential from the extended zeolite framework shows a much more significant contribution to the transition state selectivity than the van der Waals interactions.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Electrochemical oxidation of single wall carbon nanotube bundles in sulfuric acid. Synthesis and characterization of amorphous carbon nanotubes by pyrolysis of ferrocene confined within AAM templates
- Abstracts: On the application of accelerated molecular dynamics to liquid water simulations
- Abstracts: Importance of polarization effects in modeling the hydrogen bond in water using classical molecular dynamics techniques
- Abstracts: Potentiometric determination of transport numbers of ternary electrolyte systems in charged membranes. Formation of stable Ag-nanoparticle aggregates induced by dithiol cross-linking
- Abstracts: Interaction of phenothiazine compounds with zwitterionic lysophosphatidylcholine micelles: Small angle X-ray scattering, electron absorption spectroscopy, and theoretical calculations. part 2