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À propos de : Determining the Structure of Silica-Supported Monomeric Vanadium Oxide CatalystsBased on Synthesis Method and Spectral Data from Theoretical Calculations        

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  • Determining the Structure of Silica-Supported Monomeric Vanadium Oxide CatalystsBased on Synthesis Method and Spectral Data from Theoretical Calculations
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  • Infrared and Raman spectra have been calculated for several molecular cluster models for the silica-supportedmonomeric vanadium oxide catalysts that are proposed in the literature: the pyramid model, the umbrellamodel, and a model containing two bonds to the support, a VO group and an OH group. A related modelwith one bond to the support, a VO and two OH groups, will also be discussed. From the comparison withliterature, it is concluded that two models, the umbrella model and the model with two bonds to the support,are realistic descriptions of actual systems. The presence of a particular compound depends on the method ofpreparation. The internal V−O distances by themselves are not enough to distinguish between the presentedmodels.
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