SCHEDULED MAINTENANCE
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 H2 adsorption were found in the zeolite, two of which adsorb H2. 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 ΔH0 = −4.1 (±0.8) kJ mol−1. The results are discussed in the broader context of previously reported data for H2 adsorption on Na–FER and K–FER.
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