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Issue 8, 2013
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On the configuration, molecular structure and vibrational properties of MoOx sites on alumina, zirconia, titania and silica

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Abstract

The article addresses the critical molecular structural issue of differentiating between the mono-oxo (Mo[double bond, length as m-dash]O) and di-oxo [Mo([double bond, length as m-dash]O)2] configurations as well as the most plausible structures for the oxo-molybdenum [(MoOx)n] sites (including aspects related to coordination number of Mo and extent of association/polymerization) deposited on typical catalyst supports such as γ-Al2O3, monoclinic ZrO2, TiO2-anatase and SiO2. The issue is of topical character and has been the subject of persistent post-2005 research endeavors comprising both theoretical (mainly DFT) work as well as careful experimental/spectroscopic studies (Raman, IR, DR-UV/Vis) that in some cases have also been combined with isotopic labeling experiments. The pertinent vibrational properties are discussed in relation to site configuration (mono-oxo vs. di-oxo), structure and extent of association/polymerization of dispersed oxomolybdates. Vibrational isotope effects and mechanisms for 18O/16O exchange at the molecular level are given special attention.

Graphical abstract: On the configuration, molecular structure and vibrational properties of MoOx sites on alumina, zirconia, titania and silica

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Supplementary files

Article information


Submitted
25 Jan 2013
Accepted
09 Mar 2013
First published
13 Mar 2013

Catal. Sci. Technol., 2013,3, 1869-1888
Article type
Perspective

On the configuration, molecular structure and vibrational properties of MoOx sites on alumina, zirconia, titania and silica

G. Tsilomelekis and S. Boghosian, Catal. Sci. Technol., 2013, 3, 1869
DOI: 10.1039/C3CY00057E

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