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Computational and fourier transform infrared spectroscopic studies on carbon monoxide adsorption on the zeolites Na-ZSM-5 and K-ZSM-5: Evidence of dual-cation sites
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SYSNO ASEP 0306339 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Ostatní články Title Computational and fourier transform infrared spectroscopic studies on carbon monoxide adsorption on the zeolites Na-ZSM-5 and K-ZSM-5: Evidence of dual-cation sites Title Teoretická a FTIR studie adsorpce CO v zeolitech Na-ZSM-5 a K-ZSM-5: evidence duálních kationtových pozic Author(s) Areán, C. O. (ES)
Delgado, M. R. (ES)
Frolich, K. (CZ)
Bulánek, R. (CZ)
Pulido, Maria Angeles (UOCHB-X)
Bibiloni, G. F. (ES)
Nachtigall, Petr (UOCHB-X)Source Title Journal of Physical Chemistry C. - : American Chemical Society - ISSN 1932-7447
Roč. 112, č. 12 (2008), s. 4658-4666Number of pages 9 s. Language eng - English Country US - United States Keywords zeolit ; adsorpce ; FTIR Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) GA203/06/0324 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z40550506 - UOCHB-X (2005-2011) DOI https://doi.org/10.1021/jp7109934 Annotation A combination of variable temperature FTIR spectroscopy with calculations performed at the periodic DFT level was used in the investigation of CO adsorption on zeolites Na-ZSM-5 and K-ZSM-5. On the basis of a very good agreement between experimental and calculated frequencies and adsorption enthalpies it is concluded that CO can form a linearly bridged adsorption complexes on the dual cation sites. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2008
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