Computational and FTIR spectroscopic studies on carbon monoxide and dinitrogen adsorption on a high-silica H-FER zeolite
2009
Abstract
The combined experimental and computational approach led to detailed characterization of several types of hydrogen-bonded OH...CO and OH...N2 complexes, formed by interaction between the adsorbed molecules and the Bronsted acid OH groups of the zeolite. CO forming linear complexes with OH groups pointing towards a sufficiently ample void space, show the largest adsorption enthalpy which was found to be in the range of -25 to -29 kJ/mol.