Theoretical and Experimental Chemistry

, Volume 30, Issue 4, pp 187–190 | Cite as

Model analysis of zeolite-like phosphates and their adsorption complexes with water molecules

  • I. P. Beletskii
  • A. G. Grebenyuk
  • V. E. Klimenko


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.


Phosphate Silicon Water Molecule Acidity Molecular Model 
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  1. 1.
    E. M. Flamingen, R. L. Patton, and S. T. Wilson, Stud. Surf. Sci. Catal., 37, 13–27 (1990).Google Scholar
  2. 2.
    M. Briend, A. Shikoleslami, M. J. Peltre, et al., J. Chem. Soc., Dalton Trans., No. 10, 1361–1368 (1989).Google Scholar
  3. 3.
    R. Krouzami, G. Goudurier, F. Lefebvre, et al., Zeolites, 10, No. 3, 183–190 (1990).Google Scholar
  4. 4.
    R. Vomscheid, M. Briend, M. J. Peltre, et al., J. Chem. Soc., Chem. Commun., No. 6, 544–546 (1993).Google Scholar
  5. 5.
    R. A. Van Santen, B. W. H. Van Beest, and A. J. M. De Man, NATO ASI Ser. B, 221, 201–224 (1992).Google Scholar
  6. 6.
    J. Sauer, NATO ASI Ser. B, 283, 533–550 (1992).Google Scholar
  7. 7.
    M. S. J. Dewar and W. Thiel, J. Am. Chem. Soc., 99, No. 15, 4899–4907 (1977).Google Scholar
  8. 8.
    K. Burstein and A. Isaev, Theor. Chim. Acta, 64, No. 5, 397–401 (1984).Google Scholar
  9. 9.
    Ch. Halik, J. A. Lercher, and H. Mayer, J. Chem. Soc., Faraday Trans. 1, 84, No. 12, 4457–4469 (1988).Google Scholar

Copyright information

© Plenum Publishing Corporation 1995

Authors and Affiliations

  • I. P. Beletskii
    • 1
  • A. G. Grebenyuk
    • 1
  • V. E. Klimenko
    • 1
  1. 1.Institute of Surface ChemistryNational Academy of Sciences of Ukraine 31KievUkraine

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