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Quantum-chemical approach to optimization of the synthesis conditions of two-component phosphorus-titanium oxide structures on silica surface

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Abstract

The features of formation of a two-component phosphorus-titanium oxide coating on the silica surface by sequential treatment of the substrate with POCl3 and TiCl4 vapors were analyzed with application of quantum-chemical approaches. An experimental synthesis of two-component coatings under conditions selected on the basis of theoretical calculations yielded coatings whose composition corresponded to the model predictions. The structure of the resulting coatings was studied by Fourier-transform IR spectroscopy, electronic diffuse reflectance spectroscopy, and chemical analysis.

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Correspondence to S. D. Dubrovenskii.

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Original Russian Text © E.O. Drozdov, S.D. Dubrovenskii, A.A. Malygin, 2016, published in Zhurnal Obshchei Khimii, 2016, Vol. 86, No. 10, pp. 1613–1623.

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Drozdov, E.O., Dubrovenskii, S.D. & Malygin, A.A. Quantum-chemical approach to optimization of the synthesis conditions of two-component phosphorus-titanium oxide structures on silica surface. Russ J Gen Chem 86, 2263–2272 (2016). https://doi.org/10.1134/S1070363216100042

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  • DOI: https://doi.org/10.1134/S1070363216100042

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