Kinetics and Catalysis

, Volume 41, Issue 6, pp 787–793 | Cite as

Diffuse-Reflectance IR Spectra of ortho-Hydrogen and para-Hydrogen Adsorbed on Zeolite BaX at 77 K and Their Interpretation in Terms of the Stark Effect

  • V. Yu. Borovkov
  • A. I. Serykh
  • V. B. Kazansky


The vibrational and vibrational–rotational spectra of hydrogen adsorbed on zeolite BaX at 77 K were examined by diffuse-reflectance IR spectroscopy over a wide range of wavenumbers. The use of hydrogen enriched in the para isomer and of molecular deuterium allowed us to reliably assign the absorption bands to orthohydrogen and para-hydrogen and compare the experimentally observed band splitting with the theoretically calculated shifts of the corresponding levels resulted from the Stark effect. In the calculations, an adsorption site was simulated as a positive point charge. Although this approximation is rough, the IR spectra of adsorbed hydrogen and deuterium are adequately described in terms of the Stark effect. A decrease in the frequency of stretching vibrations of H–H (D–D) bonds in the molecules coordinated to Ba2+ cations, a decrease in the intensity of vibrational–rotational absorption bands, and the band splitting in the spectra of adsorbed para-hydrogen and orthohydrogen were explained.


Zeolite Deuterium Adsorption Site Point Charge Adsorbed Hydrogen 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 1.
    Rabo, J.A., Pickert, P.E., Stamires, D.N., and Boyle, J.E., Actes Du Deuxieme Congress Intern. De Catalyse, Paris, 1960, p. 2055.Google Scholar
  2. 2.
    Pickert, P.E., Rabo, J.A., Dempsey, E., and Schomaker, V., Proc. Third Int. Congr. on Catalysis, 1965, p. 714.Google Scholar
  3. 3.
    Kustov, L.M. and Kazansky, V.B., J. Chem. Soc., Faraday Trans., 1991, vol. 87, no. 16, p. 2675.Google Scholar
  4. 4.
    Beck, K., Pfeifer, H., and Staudte, B., J. Chem. Soc., Faraday Trans., 1993, vol. 89, no. 21, p. 3995.Google Scholar
  5. 5.
    Kazansky, V.B., Borovkov, V.Yu., and Karge, H.G., J. Chem. Soc., Faraday Trans., 1997, vol. 93, no. 9, p. 1843.Google Scholar
  6. 6.
    Kazansky, V.B., Catalysis and Adsorption by Zeolites, Ohlmann, G., Pfeifer, H., and Fricke, R., Eds., Amsterdam: Elsevier, 1991, p. 117.Google Scholar
  7. 7.
    Kazansky, V.B., Borovkov, V.Yu., Serykh, A., and Karge, H.G., Micropor. Mesopor. Mater, 1998, vol. 22, no. 2, p. 251.Google Scholar
  8. 8.
    Kazansky, V.B., Jentoft, F.C., and Karge, H.G., J. Chem. Soc., Faraday Trans., 1998, vol. 94, no. 9, p. 1347.Google Scholar
  9. 9.
    Breck, D.W., Zeolite Molecular Sieves, New York: Wiley, 1976.Google Scholar
  10. 10.
    Forster, H., Frede, W., and Schuldt, M., J. Mol. Struct., 1982, vol. 80, no. 1, p. 195.Google Scholar
  11. 11.
    Poll, J.D. and Hunt, J.L., Can. J. Phys., 1985, vol. 63, no. 1, p. 84.Google Scholar
  12. 12.
    Brooks, R.L., Selen, M.A., Hunt, J.L., et al., Phys. Rev. Lett., 1983, vol. 51, p. 1077.Google Scholar
  13. 13.
    Miller, J.J., Brooks, R.L., Hunt, J.L., and Poll, J.D., Can. J. Phys., 1988, vol. 66, p. 1025.Google Scholar
  14. 14.
    Bonhoeffer, K.F. and Harteck, P., Z. Phys. Chem. (Munich), 1929, vol. 4, p. 113.Google Scholar
  15. 15.
    Moelwyn-Huges, E.A., Physical Chemistry, London: Pergamon, 1962.Google Scholar
  16. 16.
    Flygare, W.H., Molecular Structure and Dynamics, Englewood Cliffs: Prentice-Hall, 1982.Google Scholar
  17. 17.
    Kolos, W. and Wolniewicz, L., J. Chem. Phys., 1967, vol. 46, p. 1426.Google Scholar
  18. 18.
    Forster, H. and Frede, W., Infrared Phys., 1984, vol. 24, p. 151.Google Scholar
  19. 19.
    Forster, H., Frede, W., and Peters, G., Zeolites as Catalysts, Sorbents and Detergent Buiders, Karge, H.G. and Weitkamp, J., Eds., Amsterdam: Elsevier, 1989, p. 545.Google Scholar
  20. 20.
    Lin, C.C. and Swalen, J.D., Rev. Mod. Phys., 1959, vol. 31, p. 841.Google Scholar
  21. 21.
    White, D. and Lassetre, E.N., J. Chem. Phys., 1960, vol. 31, no. 1, p. 72.Google Scholar
  22. 22.
    Katorsky, A. and White, D., J. Chem. Phys., 1964, vol. 40, no. 11, p. 3183.Google Scholar

Copyright information

© MAIK “Nauka/Interperiodica” 2000

Authors and Affiliations

  • V. Yu. Borovkov
    • 1
  • A. I. Serykh
    • 1
  • V. B. Kazansky
    • 1
  1. 1.Zelinskii Institute of Organic ChemistryRussian Academy of SciencesMoscowRussia

Personalised recommendations