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Possibility of quantum chemical evaluation of the probability of various chemical transformations in syntheses of phosphorus-, titanium-, silicon-, and vanadium-containing structures on the silica surface

  • Inorganic Synthesis and Industrial Inorganic Chemistry
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Abstract

Application of minimum quantum-chemical models for predicting chemical transformations in syntheses of phosphorus-, titanium-, silicon-, and vanadium-containing structures on the silica gel surface by molecular layering is considered. Possible pathways for transformation of the groups synthesized under the action of water vapor and hydrogen chloride are analyzed in terms of the models constructed.

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Authors and Affiliations

  1. St. Petersburg State Technological Institute, St. Petersburg, Russia

    S. D. Dubrovenskii, N. V. Kulakov & A. A. Malygin

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  1. S. D. Dubrovenskii
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  2. N. V. Kulakov
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  3. A. A. Malygin
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Original Russian Text © S. D. Dubrovenskii, N. V. Kulakov, A. A. Malygin, 2006, published in Zhurnal Prikladnoi Khimii, 2006, Vol. 79, No. 2, pp. 177–183.

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Dubrovenskii, S.D., Kulakov, N.V. & Malygin, A.A. Possibility of quantum chemical evaluation of the probability of various chemical transformations in syntheses of phosphorus-, titanium-, silicon-, and vanadium-containing structures on the silica surface. Russ J Appl Chem 79, 175–181 (2006). https://doi.org/10.1134/S1070427206020017

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  • DOI: https://doi.org/10.1134/S1070427206020017

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