Abstract
Molecular models of borophosphates, aluminophosphates, and silicon-containing derivatives of these phosphates have been subjected to quantum-chemical analysis in the MNDO approximation. Bonding energies of these compounds with water molecules have been calculated. Incorporation of silicon atoms into the phosphate matrix increases its hydrophilicity and acidity.
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Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 30, No. 4, pp. 223–226, July–August, 1994.
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Beletskii, I.P., Grebenyuk, A.G. & Klimenko, V.E. Model analysis of zeolite-like phosphates and their adsorption complexes with water molecules. Theor Exp Chem 30, 187–190 (1995). https://doi.org/10.1007/BF00534661
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DOI: https://doi.org/10.1007/BF00534661