This HTML5 document contains 55 embedded RDF statements represented using HTML+Microdata notation.

The embedded RDF content will be recognized by any processor of HTML5 Microdata.

Namespace Prefixes

PrefixIRI
dctermshttp://purl.org/dc/terms/
n16http://linked.opendata.cz/resource/domain/vavai/projekt/
n14http://linked.opendata.cz/resource/domain/vavai/riv/tvurce/
n3http://linked.opendata.cz/ontology/domain/vavai/
n5http://linked.opendata.cz/resource/domain/vavai/zamer/
shttp://schema.org/
skoshttp://www.w3.org/2004/02/skos/core#
n4http://linked.opendata.cz/ontology/domain/vavai/riv/
n2http://linked.opendata.cz/resource/domain/vavai/vysledek/
rdfhttp://www.w3.org/1999/02/22-rdf-syntax-ns#
n7http://linked.opendata.cz/ontology/domain/vavai/riv/klicoveSlovo/
n15http://linked.opendata.cz/resource/domain/vavai/vysledek/RIV%2F61388955%3A_____%2F08%3A00315490%21RIV09-AV0-61388955/
n17http://linked.opendata.cz/ontology/domain/vavai/riv/duvernostUdaju/
xsdhhttp://www.w3.org/2001/XMLSchema#
n12http://linked.opendata.cz/ontology/domain/vavai/riv/jazykVysledku/
n8http://linked.opendata.cz/ontology/domain/vavai/riv/aktivita/
n18http://linked.opendata.cz/ontology/domain/vavai/riv/druhVysledku/
n11http://linked.opendata.cz/ontology/domain/vavai/riv/obor/
n13http://reference.data.gov.uk/id/gregorian-year/

Statements

Subject Item
n2:RIV%2F61388955%3A_____%2F08%3A00315490%21RIV09-AV0-61388955
rdf:type
n3:Vysledek skos:Concept
dcterms:description
The Al siting in the silicon rich ZSM-22 and Theta-1 zeolites of the TON structure was investigated analyzing already published Al-27 3Q MAS NMR experimental data using QM/MM calculations. The results of our computations show that Al atoms can be located in 6 framework T positions because the two eightfold sites ( T1 and T2) split into four fourfold T sites after an Al/Si substitution. The observed resonance at 55.5 ppm corresponds to the T4 site which is predominantly occupied by Al. This site is not located on the surface of the TON ten-membered ring channel and thus the protonic sites related with the majority of Al atoms in the TON structure exhibit a significantly limited reaction space. The Al-27 NMR signals centered at 57.6 and 58.7 ppm correspond to either the T2 and T3 sites, respectively, or only to T2. The T2 and T3 sites accommodate some 40% and up to 10%, respectively, of Al while the T1 site is unoccupied by Al. The Al siting in the silicon rich ZSM-22 and Theta-1 zeolites of the TON structure was investigated analyzing already published Al-27 3Q MAS NMR experimental data using QM/MM calculations. The results of our computations show that Al atoms can be located in 6 framework T positions because the two eightfold sites ( T1 and T2) split into four fourfold T sites after an Al/Si substitution. The observed resonance at 55.5 ppm corresponds to the T4 site which is predominantly occupied by Al. This site is not located on the surface of the TON ten-membered ring channel and thus the protonic sites related with the majority of Al atoms in the TON structure exhibit a significantly limited reaction space. The Al-27 NMR signals centered at 57.6 and 58.7 ppm correspond to either the T2 and T3 sites, respectively, or only to T2. The T2 and T3 sites accommodate some 40% and up to 10%, respectively, of Al while the T1 site is unoccupied by Al. Obsazení T poloh hliníkem v ZSM-22 a Theta-1 zeolitech TON struktury bylo vyšetřováno analyzováním již publikovaných 27Al 3Q MAS NMR experimentálních dat užívaje QM/MM výpočty. Výsledky našich výpočtů ukazují, že Al atomy mohou být lokalizovány v 6 skeletálních T pozicích, protože osminásobná T místa (T1 and T2) se rozdělí do dvou čtyřnásobných míst po Al/Si substituci. Pozorované resonance na 55.5 ppm odpovídá T4 místu, které je převážně obsazené hliníkem. Tato pozice není lokalizována na povrchu TON 10-členného kanálu, a proto protonická místa příslušející většině Al atomu v TON struktuře projevují podstatně omezený reakční prostor. 27Al NMR signály středované na 57.6 and 58.7 ppm odpovídají buď T2 a T3 místům či pouze T2 místu. T2 a T3 místa akumulují okolo 40% a do 10% hliníku, zatímco T1 místa nejsou obsazena Al.
dcterms:title
Aluminum siting in the ZSM-22 and theta-1 zeolites revisited: A QM/MM study Obsazeni T poloh hlinikem v ZSM-22 a Theta-1 zeolitech znovu zkoumane. QM/MM studie Aluminum siting in the ZSM-22 and theta-1 zeolites revisited: A QM/MM study
skos:prefLabel
Obsazeni T poloh hlinikem v ZSM-22 a Theta-1 zeolitech znovu zkoumane. QM/MM studie Aluminum siting in the ZSM-22 and theta-1 zeolites revisited: A QM/MM study Aluminum siting in the ZSM-22 and theta-1 zeolites revisited: A QM/MM study
skos:notation
RIV/61388955:_____/08:00315490!RIV09-AV0-61388955
n4:aktivita
n8:P n8:Z
n4:aktivity
P(GA203/06/1449), Z(AV0Z40400503)
n4:cisloPeriodika
6-7
n4:dodaniDat
n13:2009
n4:domaciTvurceVysledku
Li, Chengbin Jansang, Bavornpon n14:5630134 n14:2980312 n14:9628983 Gao, Fei Boekfa, Bundet
n4:druhVysledku
n18:J
n4:duvernostUdaju
n17:S
n4:entitaPredkladatele
n15:predkladatel
n4:idSjednocenehoVysledku
355525
n4:idVysledku
RIV/61388955:_____/08:00315490
n4:jazykVysledku
n12:eng
n4:klicovaSlova
QM/MM study; ZSM-22 zeolites; theta-1 zeolites
n4:klicoveSlovo
n7:theta-1%20zeolites n7:QM%2FMM%20study n7:ZSM-22%20zeolites
n4:kodStatuVydavatele
CZ - Česká republika
n4:kontrolniKodProRIV
[83D9265F1D4F]
n4:nazevZdroje
Collection of Czechoslovak Chemical Communications
n4:obor
n11:CF
n4:pocetDomacichTvurcuVysledku
7
n4:pocetTvurcuVysledku
8
n4:projekt
n16:GA203%2F06%2F1449
n4:rokUplatneniVysledku
n13:2008
n4:svazekPeriodika
73
n4:tvurceVysledku
Wichterlová, Blanka Boekfa, Bundet Dědeček, Jiří Li, Chengbin Sklenák, Štěpán Jansang, Bavornpon Sauer, J. Gao, Fei
n4:wos
000260536700013
n4:zamer
n5:AV0Z40400503
s:issn
0010-0765
s:numberOfPages
12