Kinetics and Catalysis

, Volume 46, Issue 3, pp 407–413 | Cite as

IR Spectra of Ethane Adsorbed on the Hydrogen, Sodium, and Zinc Forms of a Y-Type Zeolite: Interpretation Using ab initio Quantum Chemical Calculations

  • E. A. Pidko
  • V. B. Kazanskii


Ethane adsorption on the hydrogen, sodium, and zinc forms of faujasite brings about polarization anisotropy of the C-H stretching vibrations. This anisotropy shows itself most clearly as perturbation of the vibrational mode analogous to the breathing C-H mode ν1 of free ethane. The relative intensity and the low-frequency shift of the absorption band due to the distorted ν1 mode increase with increasing perturbation caused by the C2H6-adsorption site interaction. The polarizing power of adsorption sites increases in the order H+ < Na+ < Zn2+. The C-H stretching vibrations in ethane adsorbed on the cationic forms of the Y zeolite are not symmetry-forbidden; accordingly, adsorbed ethane gives more absorption bands than gaseous ethane. The interaction between ethane and zinc cations in the Y zeolite structure eliminates not only the symmetry forbiddenness but also the twofold degeneracy of the C-H stretches.


Anisotropy Zeolite Ethane Quantum Chemical Calculation Cationic Form 
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© MAIK “Nauka/Interperiodica” 2005

Authors and Affiliations

  • E. A. Pidko
    • 1
  • V. B. Kazanskii
    • 1
  1. 1.Zelinskii Institute of Organic ChemistryRussian Academy of SciencesMoscowRussia

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