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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
Article

Abstract

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.

Keywords

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.

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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

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