Chemistry, Physics and Technology of Surface, 2010, 1 (3), 238-241.

Role of Ionized States of Water Molecules in the Reaction of Hydrolysis of Saccharose on Silica Surfaces



O. M. Tsendra, A. G. Grebenyuk, V. V. Lobanov

Abstract


An ion-pair model has been proposed explaining the origin of acidic sites at the silica surface–aqueous solution interface. The results of quantum chemical simulation testify the idea on principal role of ion-pair state of water molecules in the hydrolysis of saccharose adsorbed on silica surface.

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References


Johnson J.R.T., Panas I. Water adsorption and hydrolysis on molecular Al oxides and hydroxides – solvation versus cluster formation // Phys. Chem. Chem. Phys. – 2001. – V. 3, N 24. – P. 5482–5488.

Niedner-Schatteburg G., Bondybey V.E. FT-ICR studies of solvation effects in ionic water cluster reactions // Chem. Rev. – 2000. – V. 100, N 11. – P. 4059–4086.

Arrouvel C., Viosset V., Minot C. Theoretical study of hydrated sulfuric acid: cluster and periodic modeling // J. Mol. Struct. Theochem. – 2005. – V. 718, N 1–3. – P. 71–76.

Asada T., Takitani S., Koseki S. Theoretical calculation of structures and proton transfer in hydrated ammonia-hydrogen chloride clusters // J. Phys. Chem. A. – 2005. – V. 109, N 9. – P. 1821–1827.

Lee Ch., Sosa C., Novoa J.J. Evidence of the existence of dissociated water molecules in water clusters // J. Chem. Phys. – 1995. –V. 103, N 10. – P.4360–4362.

Li S., Weber K.H., Tao F.-M., Gu R. Theoretical investigation of ionic dissociation of fluorosulfonic acid in microsolvayed clusters // Chem. Phys. Lett. – 2006. – V. 323, N 2–3. – P. 397–406.

Veerman A., Myong L.H., Kim K.S. Dissolution nature of lithium hydroxide by water molecules // J. Chem. Phys. – 2005. – V. 123, N 8. – P. 084321(1–7).

Odde S., Lee H.M., Kołaski M. et al. Dissolution of a base (RbOH) by water clusters // J. Chem. Phys. – 2004. – V. 121, N 10. – P. 4665–4670.

Pelsherbe G.H., Ladanyi B.M., Hynes J.T. Free energetics of NaI contact and solvent-separated ion pairs in water clusters // J. Phys. Chem. A. – 2000. – V. 104, N 19. – P. 4533–4548.

Becke A.D. Density-functional thermochemistry. 3. Role of exact exchange // J. Chem. Phys. – 1993. – V. 98, N 7. – P. 5648–5652.

Belyakova L.A., Varvarin A.M., Grebeny­uk A.G., Lobanov V.V. Reactions of methyl­chlorsilanes with a silica surface // Russ. J. Phys. Chem. – 2004. – V. 78, N 11. – P. 1822–1825.

Brumer E., Pfeifer H. NMR Spectroscopic techniques for determining acidity and basicity // Mol. Sieves. – 2008. – V. 6. – P. 1–43.




Copyright (©) 2010 O. M. Tsendra, A. G. Grebenyuk, V. V. Lobanov

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