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Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites
Authors: Bulánek Roman | Frolich Karel | Čičmanec Pavel | Nachtigallova Dana | Pulido Angeles | Nachtigall Petr
Year: 2011
Type of publication: článek v odborném periodiku
Name of source: Journal of Physical Chemistry C
Publisher name: American Chemical Society
Place: Washington
Page from-to: 13312-13321
Titles:
Language Name Abstract Keywords
cze Kombinované experimentální a teoretické zkoumání heterogenních duálních kationtových poloh v Cu,M-FER zeolitech Byla studována IR spektra CO adsorbovaného na kationtových polohách v Cu,M-FER zeolitech. Na základě kombinace teoretických a experimentálních výsledků byly popsány existence a vlastnosti CO adsorpčních komplexů tvořených na heterogenních duálních kationtových polohách v zeolitech různého složení. CO adsorpce; Si zeolity; iontově vyměněné ZSM-5; Cu+ polohy; IR spektroskopie; Y-zeolity; K-FER; aktivní polohy
eng Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites Carbon monoxide is frequently used as a probe molecule forcharacterization of adsorption sites in zeolites by means of infrared (IR) spectroscopy. IR spectra of carbonyl species in zeolites are usually understood within a concept of CO adsorption on a single cation site. This concept, however, is not sufficient in microporous materials when the concentration of cationic sites increases. Adsorption complexes formed on homogeneous dual cation sites were recently described (J. Phys. Chem. B 2006, 110, 22542) based on a combination of experimental and theoretical investigations. The concept of dual cation sites is extended for the situation where CO is strongly bound on the Cu(+) cation and it also interacts with the,extra-framework alkali-metal cation. The existence and properties of the CO adsorption complexes on such heterogeneous dual cation sites are discussed for Cu,M-FER zeolites (M = H, Na, K, Cs) having various compositions. CARBON-MONOXIDE ADSORPTION; AUGMENTED-WAVE METHOD; HIGH-SILICA ZEOLITES; ION-EXCHANGED ZSM-5; CO ADSORPTION; CU+ SITES; INFRARED-SPECTROSCOPY; Y-ZEOLITES; K-FER; ACTIVE-SITES

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