About: Complex Analysis of the Aluminum Siting in the Framework of Silicon-Rich Zeolites. A Case Study on Ferrierites

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We present a multistep method combining multispectroscopic experiments with DFT calculations to determine the complete Al distribution in silicon-rich zeolites, independent of the presence of Al–O–(Si–O)n–Al (n = 1, 2) sequences in their frameworks. 29Si MAS NMR spectroscopy is employed to confirm the absence of Al–O–Si–O–Al in the framework of silicon-rich zeolites while 27Al 3Q MAS NMR spectroscopy and DFT computations of 27Al isotropic chemical shifts serve to determine the locations of isolated Al atoms. The maximum ion-exchange capacity of zeolites for [Co2+(H2O)6]2+ reveals the presence of close Al atoms (i.e., those Al atoms which are able to balance [Co2+(H2O)6]2+ ions). Then visible spectroscopy of the bare Co(II) ion in the dehydrated zeolite of the samples with close Al is utilized to identify the locations of the corresponding Al–O–(Si–O)2–Al pairs in a ring. We present a multistep method combining multispectroscopic experiments with DFT calculations to determine the complete Al distribution in silicon-rich zeolites, independent of the presence of Al–O–(Si–O)n–Al (n = 1, 2) sequences in their frameworks. 29Si MAS NMR spectroscopy is employed to confirm the absence of Al–O–Si–O–Al in the framework of silicon-rich zeolites while 27Al 3Q MAS NMR spectroscopy and DFT computations of 27Al isotropic chemical shifts serve to determine the locations of isolated Al atoms. The maximum ion-exchange capacity of zeolites for [Co2+(H2O)6]2+ reveals the presence of close Al atoms (i.e., those Al atoms which are able to balance [Co2+(H2O)6]2+ ions). Then visible spectroscopy of the bare Co(II) ion in the dehydrated zeolite of the samples with close Al is utilized to identify the locations of the corresponding Al–O–(Si–O)2–Al pairs in a ring. (en)
Title	Complex Analysis of the Aluminum Siting in the Framework of Silicon-Rich Zeolites. A Case Study on Ferrierites Complex Analysis of the Aluminum Siting in the Framework of Silicon-Rich Zeolites. A Case Study on Ferrierites (en)
skos:prefLabel	Complex Analysis of the Aluminum Siting in the Framework of Silicon-Rich Zeolites. A Case Study on Ferrierites Complex Analysis of the Aluminum Siting in the Framework of Silicon-Rich Zeolites. A Case Study on Ferrierites (en)
skos:notation	RIV/61388955:_____/11:00360036!RIV12-GA0-61388955
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA203/09/1627), P(GP203/08/P593), P(IAA400400812), P(IAA400400904), P(IAA400400908), P(KAN100400702), Z(AV0Z40400503)
http://linked.open...iv/cisloPeriodika	22
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Klein, Petr Urbanová, Martina Sklenák, Štěpán Tvarůžková, Zdenka Sazama, Petr Dědeček, Jiří Gao, Fei Li, Chengbin Lucero, Melissa Jeanine
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 fyzikální chemie J. Heyrovského AV ČR, v.v.i.
http://linked.open...dnocenehoVysledku	191384
http://linked.open...ai/riv/idVysledku	RIV/61388955:_____/11:00360036
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	ferrierites; zeolites; aluminosilicates (en)
http://linked.open.../riv/klicoveSlovo	aluminosilicates ferrierites zeolites
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[DD1297EFCB8A]
http://linked.open...i/riv/nazevZdroje	Journal of Physical Chemistry C
http://linked.open...in/vavai/riv/obor	CF
http://linked.open...ichTvurcuVysledku	9 (xsd:int)
http://linked.open...cetTvurcuVysledku	9 (xsd:int)
http://linked.open...vavai/riv/projekt	Study of the dynamics of active sites of crystalline nanoporous alumosilicates employing molecular modeling Analysis of Al sites in the framework of zeolites and catalytic activity of correspondink H+ and Fen+ sites Quantum chemistry investigation of inorganic crystalline micro- and mesoporous catalytic systems NMR crystallography of extraframework sites in silicon rich zeolites DFT and DFT/MM study of the structure and properties of zeolites. Nanostructured materials for catalytic, electrocatalytic and sorption applications
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	115
http://linked.open...iv/tvurceVysledku	Dědeček, Jiří Gao, Fei Klein, Petr Li, Chengbin Lucero, Melissa Jeanine Sazama, Petr Sklenák, Štěpán Tvarůžková, Zdenka Urbanová, Martina
http://linked.open...ain/vavai/riv/wos	000291079900018
http://linked.open...n/vavai/riv/zamer	Struktura, reaktivita a dynamika molekulárních a biomolekulárních systémů: teorie, experiment, aplikace
issn	1932-7447
number of pages	9 (xsd:int)
http://bibframe.org/vocab/doi	10.1021/jp200310b

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