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  • Title: FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER.
    Author: Nachtigall P, Garrone E, Palomino GT, Delgado MR, Nachtigallová D, Areán CO.
    Journal: Phys Chem Chem Phys; 2006 May 21; 8(19):2286-92. PubMed ID: 16688311.
    Abstract:
    The interaction, at a low temperature, between molecular hydrogen and the zeolite Li-FER was studied by means of variable temperature infrared spectroscopy and theoretical calculations using a periodic DFT model. The adsorbed dihydrogen molecule becomes infrared active, giving a characteristic IR absorption band (H-H stretching) at 4090 cm(-1). Three different Li(+) site types with respect to H(2) adsorption were found in the zeolite, two of which adsorb H(2). Calculations showed a similar interaction energy for these two sites, which was found to agree with the experimentally determined value of standard adsorption enthalpy of DeltaH(0) = -4.1 (+/-0.8) kJ mol(-1). The results are discussed in the broader context of previously reported data for H(2) adsorption on Na-FER and K-FER.
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