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Localization and Coordination of Mg2+ Cations in Ferrierite: Combined FTIR Spectroscopic and Computation Investigation of CO Adsorption Complexes
- 1.0331253 - ÚOCHB 2010 RIV US eng J - Journal Article
Bulánek, R. - Voleská, I. - Ivanova, E. - Hadjiivanov, K. - Nachtigall, Petr
Localization and Coordination of Mg2+ Cations in Ferrierite: Combined FTIR Spectroscopic and Computation Investigation of CO Adsorption Complexes.
Journal of Physical Chemistry C. Roč. 113, č. 25 (2009), s. 11066-11076. ISSN 1932-7447. E-ISSN 1932-7455
R&D Projects: GA ČR GA203/06/0324; GA ČR GA203/09/0143; GA MŠMT LC512
Institutional research plan: CEZ:AV0Z40550506
Keywords : FTIR * DFT * Mg-FER
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 4.224, year: 2009
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.
Permanent Link: http://hdl.handle.net/11104/0176820
Number of the records: 1