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Computational and FTIR spectroscopic studies on carbon monoxide and dinitrogen adsorption on a high-silica H-FER zeolite
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SYSNO ASEP 0322696 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Computational and FTIR spectroscopic studies on carbon monoxide and dinitrogen adsorption on a high-silica H-FER zeolite Title Výpočetní a FTIR spektroskopická studie adsorpce CO a N2 na vysokosilikátovém zeolitu H-FER Author(s) Nachtigall, Petr (UOCHB-X)
Bludský, Ota (UOCHB-X) RID, ORCID
Grajciar, Lukáš (UOCHB-X)
Nachtigallová, Dana (UOCHB-X) RID, ORCID
Delgado, M. R. (ES)
Areán, C. O. (ES)Number of authors 6 Source Title Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076
Roč. 11, č. 5 (2009), s. 791-802Number of pages 12 s. Language eng - English Country GB - United Kingdom Keywords zeolite ; adsorption ; vibrational dynamics Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA203/06/0324 GA ČR - Czech Science Foundation (CSF) LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000262649300005 DOI 10.1039/b812873a Annotation 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 Brønsted 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. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Viktorie Chládková, Tel.: 232 002 434 Year of Publishing 2009
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