About: Computational and FTIR Spectroscopic Studies on CO Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-cation Sites

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About: Computational and FTIR Spectroscopic Studies on CO Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-cation Sites Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Adsorpce CO na Na-ZSM-5 a K-ZSM-5 zeolitech byla studována kombinací IČ spektroskopie za různých teplot a výpočtů na periodické DFT úrovni. Na základě velmi dobré shody experimentu a teorie bylo prokázáno, že IČ pás na vlnočtech 2155 a 2150 cm-1 je způsoben vznikem lineárních můstkových komplexů adsorbovaného CO na tzv. duálních kationtových centrech. (cs) Carbon monoxide adsorption on the zeolites Na-ZSM-5 and K-ZSM-5 was investigated by combining variable-temperature FTIR spectroscopy with calculations performed at the periodic DFT level. On the basis of a very good agreement between experimental and calculated frequencies and adsorption enthalpies, it is shown that the IR absorption band appearing in the intermediate frequency range for adsorbed CO (2155 and 2150 cm-1 for Na-ZSM-5 and K-ZSM-5, respectively) is due to the formation of linearly bridged CO adsorption complexes on dual-cation sites. Carbon monoxide adsorption on the zeolites Na-ZSM-5 and K-ZSM-5 was investigated by combining variable-temperature FTIR spectroscopy with calculations performed at the periodic DFT level. On the basis of a very good agreement between experimental and calculated frequencies and adsorption enthalpies, it is shown that the IR absorption band appearing in the intermediate frequency range for adsorbed CO (2155 and 2150 cm-1 for Na-ZSM-5 and K-ZSM-5, respectively) is due to the formation of linearly bridged CO adsorption complexes on dual-cation sites. (en)
Title	Computational and FTIR Spectroscopic Studies on CO Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-cation Sites Computational and FTIR Spectroscopic Studies on CO Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-cation Sites (en) Výpočetní a FTIR spektroskopická studie adsorpce CO na Na-ZSM-5 a K-ZSM-5: důkaz duálních kationtových center (cs)
skos:prefLabel	Computational and FTIR Spectroscopic Studies on CO Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-cation Sites Computational and FTIR Spectroscopic Studies on CO Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-cation Sites (en) Výpočetní a FTIR spektroskopická studie adsorpce CO na Na-ZSM-5 a K-ZSM-5: důkaz duálních kationtových center (cs)
skos:notation	RIV/00216275:25310/08:00007602!RIV09-GA0-25310___
http://linked.open...avai/riv/aktivita	P S
http://linked.open...avai/riv/aktivity	P(GA203/06/0324), P(LC512), S
http://linked.open...iv/cisloPeriodika	12
http://linked.open...vai/riv/dodaniDat	2009
http://linked.open...aciTvurceVysledku	Bulánek, Roman Nachtigall, Petr Frolich, Karel
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Pardubice / Fakulta chemicko-technologická
http://linked.open...dnocenehoVysledku	360861
http://linked.open...ai/riv/idVysledku	RIV/00216275:25310/08:00007602
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	zeolite; CO; dual sites; adsorption; DFT level (en)
http://linked.open.../riv/klicoveSlovo	CO adsorption zeolite dual sites DFT level
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[8DE606DFC626]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry Part C: Nanomaterials and Interfaces
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	3 (xsd:int)
http://linked.open...cetTvurcuVysledku	7 (xsd:int)
http://linked.open...vavai/riv/projekt	Center for biomolecules and complex molecular systems Bridging the gap between experimental and theoretical characterization of metal-ion exchanged zeolites
http://linked.open...UplatneniVysledku	2008
http://linked.open...v/svazekPeriodika	112
http://linked.open...iv/tvurceVysledku	Bulánek, Roman Nachtigall, Petr Pulido, A. Frolich, Karel Areán, C. Otero Bibiloni, G. Fiol Delgado, M. Rodríguez
issn	1932-7447
number of pages	9 (xsd:int)
http://localhost/t...ganizacniJednotka	25310
is http://linked.open...avai/riv/vysledek of	Computational and FTIR Spectroscopic Studies on CO Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-cation Sites Computational and FTIR Spectroscopic Studies on CO Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-cation Sites Computational and FTIR Spectroscopic Studies on CO Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-cation Sites Computational and FTIR Spectroscopic Studies on CO Adsorption on the Zeolites Na-ZSM-5 and K-ZSM-5: Evidence of Dual-cation Sites

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