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.
Similar content being viewed by others
References
Malygin, A.A., Russ. J. Gen. Chem., 2002, vol. 72, no. 4, p. 575. doi 10.1023/A:1016344516638
Korosi, L., Papp, S., and Dekany, I., Chem. Mater., 2010, vol. 22, no. 15, p. 4356. doi 10.1021/cm9034159
Korosi, L. and Dekany, I., Colloids Surf., A, 2006, vol. 280, nos. 1–3, p. 146. doi 10.1016/j.colsurfa.2006.01.052
Korosi, L., Papp, S., Bertoti, I., and Dekany, I., Chem. Mater., 2007, vol. 19, no. 19, p. 4811. doi 10.1021/cm070692r
Wang, Q., Zhong, L., Sun, J., and Shen, J., Chem. Mater., 2005, vol. 17, p. 3563. doi 10.1021/cm050646w
Iler, R.K., The Chemistry of Silica: Solubility, Polymerization, Colloid and Surface Properties, and Biochemistry, New York: Wiley, 1979.
Kol’tsov, S.I., Khimicheskoe konstruirovanie tverdykh tel (Chemical Design of Solids), Leningrad: Leningr. Tekhnol. Inst. im. Lensoveta, 1990.
Aleskovskii, V.B., Khimiya nadmolekulyarnykh soedinenii (Chemistry of Supramolecular Compounds), St. Petersburg: S.-Peterb. Gos. Univ., 1996.
Wachs, I.E, Catal. Today, 2005, vol. 100, p. 79. doi 10.1016/j.cattod.2004.12.019
Sosnov, E.A., Malkov, A.A., and Malygin, A.A., Russ. J. Appl. Chem., 2007, vol. 80, no. 12, p. 2057. doi 10.1134/S107042720712011X
Osipenkova, O.V., Malkov, A.A., and Malygin, A.A., Zh. Obshch. Khim., 1996, vol. 66, no. 1, p. 7.
Volkova, A.N., Malygin, A.A., Kol’tsov, S.I., and Aleskovskii, V.B., Zh. Obshch. Khim., 1973, vol. 43, no. 4, p. 724.
Evdokimov, A.V., Malygin, A.A., and Kol’tsov, S.I., Zh. Obshch. Khim., 1987, vol. 57, no. 4, p. 749.
Gukova, A.N., Dubrovenskii, S.D., and Malygin, A.A., Russ. J. Gen. Chem., 2010, vol. 80, no. 6, p. 1168. doi 10.1134/S1070363210060204
Dubrovenskii, S.D. and Malygin, A.A., Ross. Khim. Zh., 2009, vol. 53, no. 2, p. 98.
Kutchiev, A.I., Cand. Sci. (Chem.) Dissertation, St. Petersburg, 2007.
Dubrovenskii, S.D., Kulakov, N.V., and Malygin, A.A., Russ. J. Appl. Chem., 2006, vol. 79, no. 2, p. 175. doi 10.1134/S1070427206020017
Zhuravlev, L.T., Colloids Surf., A, 2000, vol. 173, p. 1. doi 10.1016/S0927-7757(00)00556-2
Sosnov, E.A., Malkov, A.A., and Malygin, A.A., Russ. J. Gen. Chem., 2010, vol. 80, no. 6, p. 1176. doi 10.1134/S1070363210060216.
Barone, V., J. Chem. Phys., 2005, vol. 122, p. 014108. doi 10.1063/1.1824881
Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Scalmani, G., Barone, V., Mennucci, B., Petersson, G.A., Nakatsuji, H., Caricato, M., Li X., Hratchian, H.P., Izmaylov, A.F., Bloino, J., Zheng, G., Sonnenberg, J.L., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Vreven, T., Montgomery, J.A., Jr., Peralta, J.E., Ogliaro, F., Bearpark, M., Heyd, J.J., Brothers, E., Kudin, K.N., Staroverov, V.N., Kobayashi, R., Normand, J., Raghavachari, K., Rendell, A., Burant, J.C., Iyengar, S.S., Tomasi, J., Cossi, M., Rega, N., Millam, J.M., Klene, M., Knox, J.E., Cross, J.B., Bakken, V., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R.E., Yazyev, O., Austin, A.J., Cammi, R., Pomelli, C., Ochterski, J.W., Martin, R.L., Morokuma, K., Zakrzewski, V.G., Voth, G.A., Salvador, P., Dannenberg, J.J., Dapprich, S., Daniels, A.D., Farkas, O., Foresman, J.B., Ortiz, J.V., Cioslowski, J., and Fox, D.J., GAUSSIAN 09, Revision A.02, Gaussian, Wallingford CT, 2009.
Lygin, V.I., Zh. Fiz. Khim., 2000, vol. 74, no. 8, p. 1351.
Lygin, V.I., Russ. J. Phys. Chem., 2006, vol. 80, no. 2, p. 304. doi 10.1134/S0036024406020361
Ugliengo, P. and Garrone, E., J. Mol. Catal., 1989, vol. 54, no. 3, p. 439. doi 10.1016/0304-5102(89)80158-0
Gorban’, A.N., Kaganovich, B.M., and Filippov, S.P., Termodinamicheskie ravnovesiya i ekstremumy: Analiz oblastei dostizhimosti i chastichnykh ravnovesii v fizikokhimicheskikh i tekhnicheskikh sistemakh (Thermodynamic Equilibria and Extrema: Analysis of Attainability Regions and Partial Equilibria in Physicochemical and Technical Systems), Novosibirsk: Nauka, 2001.
Fedorov, A.A., Chernyakhovskaya, F.V., and Vernidub, A.S., Analiticheskaya khimiya fosfora (Analytical Chemistry of Phosphorus), Moscow: Nauka, 1974.
Charlot, G., Les méthodes de la chimie analytique: analyse quantitative minérale, Paris: Masson et Cie, 1966.
Frumina, N.S., Lisenko, I.F., and Chernova, M.A., Khlor (Chlorine), Moscow: Nauka, 1983.
Ivanov, A.P., Optika rasseivayushchikh sred (Optics of Dispersive Media), Minsk: Nauka i Tekhnika, 1969.
Author information
Authors and Affiliations
Corresponding author
Additional information
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.
Rights and permissions
About this article
Cite this article
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
Received:
Published:
Issue Date:
DOI: https://doi.org/10.1134/S1070363216100042