About: Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	Carbon monoxide is frequently used as a probe molecule for characterization 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 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 is frequently used as a probe molecule for characterization 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 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. (en)
Title	Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites (en)
skos:prefLabel	Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites (en)
skos:notation	RIV/61388963:_____/11:00364655!RIV12-AV0-61388963
http://linked.open...avai/predkladatel	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/09/0143), P(GPP208/11/P276), P(LC512), Z(AV0Z40550506), Z(MSM0021620857), Z(MSM0021627501)
http://linked.open...iv/cisloPeriodika	27
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Nachtigallová, Dana
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	Ústav organické chemie a biochemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	190880
http://linked.open...ai/riv/idVysledku	RIV/61388963:_____/11:00364655
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	augmented-wave method; high-silica zeolites; co adsorption; infrared-spectroscopy (en)
http://linked.open.../riv/klicoveSlovo	augmented-wave method co adsorption high-silica zeolites infrared-spectroscopy
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[444F2225AD4F]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry C
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	6 (xsd:int)
http://linked.open...vavai/riv/projekt	Combined theoretical and experimental investigation of gas-zeolite interaction: adsorption, separation, gas storage Methodology of Cu-zeolitic systems preparation - the study of copper ions distribution using indirect experimental techniques and probe molecules Center for biomolecules and complex molecular systems
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	115
http://linked.open...iv/tvurceVysledku	Bulánek, R. Cicmanec, P. Frolich, K. Nachtigall, P. Nachtigallová, Dana Pulido, A.
http://linked.open...ain/vavai/riv/wos	000292479700025
http://linked.open...n/vavai/riv/zamer	Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství Nové molekulární systémy pro pokročilé aplikace prospěšné pro zdraví a šetrné k životnímu prostředí Aimed preparation of special compounds and materials and investigation of their physical and chemical properties and supramolecular structures
issn	1932-7447
number of pages	10 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/jp200293y
is http://linked.open...avai/riv/vysledek of	Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites Combined Experimental and Theoretical Investigations of Heterogeneous Dual Cation Sites in Cu,M-FER Zeolites

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