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Localization and Coordination of Mg2+ Cations in Ferrierite: Combined FTIR Spectroscopic and Computation Investigation of CO Adsorption Complexes
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SYSNO ASEP 0331253 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Localization and Coordination of Mg2+ Cations in Ferrierite: Combined FTIR Spectroscopic and Computation Investigation of CO Adsorption Complexes Author(s) Bulánek, R. (CZ)
Voleská, I. (CZ)
Ivanova, E. (BG)
Hadjiivanov, K. (BG)
Nachtigall, Petr (UOCHB-X)Number of authors 5 Source Title Journal of Physical Chemistry C. - : American Chemical Society - ISSN 1932-7447
Roč. 113, č. 25 (2009), s. 11066-11076Number of pages 11 s. Language eng - English Country US - United States Keywords FTIR ; DFT ; Mg-FER Subject RIV CF - Physical ; Theoretical Chemistry R&D Projects GA203/06/0324 GA ČR - Czech Science Foundation (CSF) GA203/09/0143 GA ČR - Czech Science Foundation (CSF) LC512 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) CEZ AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000267205700032 DOI 10.1021/jp901575p Annotation Experimental data were interpreted based on a very good agreement between theoretical and experimental results. The most intense band in the spectra centered at 2205 cm-1 was assigned to monocarbonyl complexes formed on Mg2+ cations located in the six-member ring separating two adjacent FER cages (P6 site); it is concluded that Mg2+ cations exchange preferably into this site. An unusually high site-specificity of CO observed for CO complexes formed in Mg-FER can be exploited in the investigation of preferable exchange sites of Mg2+ in zeolites and in the investigation of the localization of Al pairs in zeolites. 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 2010
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