title: FTIR spectroscopic and computational studies on hydrogen adsorption on the zeolite Li-FER.
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.
authors: Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic and Centre for Biomolecules and Complex Molecular Systems, Prague.
authors: P
authors: P
authors: Nachtigall
authors: E
authors: E
authors: Garrone
authors: G Turnes
authors: GT
authors: Palomino
authors: M Rodríguez
authors: MR
authors: Delgado
authors: D
authors: D
authors: Nachtigallová
authors: C Otero
authors: CO
authors: Areán