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| rdf:type
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| Description
| - Pozice hliníku v ZSM-5 zeolitu byly vyšetřovány za pomoci 27Al 3Q MAS NMR spektroskopie a QM/MM výpočtu. Bylo zjištěno, že obsazení skeletálních T pozic hliníkem a koncentrace hliníku v těchto T pozicích není ani náhodná ani řízena jednoduchým pravidlem. Obojí závisí na podmínkách syntézy zeolitu. Nejméně 12 z 24 rozlišitelných skeletálních T pozic v ZSM-5 jsou obsazeny hliníkem ve zkoumaných vzorcích ZSM-5. Částečná identifikace těchto Al pozic je možná. Vypočtené 27Al NMR stínění bylo konvertováno do 27Al isotropních chemických posunů za využití experimentálního isotropického chemického posunu 60.0 ppm vztaženého na vodní roztok Al(NO3)(3) a příslušného vypočteného NMR stíněni 490.0 ppm pro křemíkem bohatý zeolit (Si/Al 38) chabazit jako sekundární standard. Pozorované 27Al isotropické chemické posuny 50.0 and 54.7 ppm přísluší Al atomům v T20 a T6 pozicích. Pár změřených isotropních chemických posunů 52.9 and 53.7 ppm může být přiřazen páru T4 a T8 pozic. (cs)
- The Al siting in the ZSM-5 zeolite was investigated by Al-27 3Q MAS NMR spectroscopy and QM/MM calculations. It was found that the occupation of the framework T-sites by Al and the concentration of Al in these T-sites are neither random nor controlled by a simple rule. They both depend on the conditions of the zeolite synthesis. At least 12 out of the 24 distinguishable framework T-sites of ZSM-5 are occupied by Al in the set of the investigated zeolite samples. A partial identification of the Al sites is possible. The calculated 27 Al NMR shielding values were converted to 27 Al isotropic chemical shifts using the experimental isotropic chemical shift of 60.0 ppm referenced to the aqueous solution of Al(NO3)(3) and the corresponding calculated NMR shielding of 490.0 ppm of a silicon rich (Si/Al 38) chabazite structure zeolite as a secondary internal standard. The observed Al-27 isotropic chemical shifts of 50.0 and 54.7 ppm correspond to Al atoms in the T20 and T6 sites, resp.
- The Al siting in the ZSM-5 zeolite was investigated by Al-27 3Q MAS NMR spectroscopy and QM/MM calculations. It was found that the occupation of the framework T-sites by Al and the concentration of Al in these T-sites are neither random nor controlled by a simple rule. They both depend on the conditions of the zeolite synthesis. At least 12 out of the 24 distinguishable framework T-sites of ZSM-5 are occupied by Al in the set of the investigated zeolite samples. A partial identification of the Al sites is possible. The calculated 27 Al NMR shielding values were converted to 27 Al isotropic chemical shifts using the experimental isotropic chemical shift of 60.0 ppm referenced to the aqueous solution of Al(NO3)(3) and the corresponding calculated NMR shielding of 490.0 ppm of a silicon rich (Si/Al 38) chabazite structure zeolite as a secondary internal standard. The observed Al-27 isotropic chemical shifts of 50.0 and 54.7 ppm correspond to Al atoms in the T20 and T6 sites, resp. (en)
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| Title
| - Aluminium siting in the ZSM-5 framework by combination of high resolution Al-27 NMR and DFT/MM calculations
- Aluminium siting in the ZSM-5 framework by combination of high resolution Al-27 NMR and DFT/MM calculations (en)
- Pozice hliníku v ZSM-5 zeolitu v kombinaci s 27Al 3Q MAS NMR spektroskopie a QM/MM výpočtu (cs)
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| skos:prefLabel
| - Aluminium siting in the ZSM-5 framework by combination of high resolution Al-27 NMR and DFT/MM calculations
- Aluminium siting in the ZSM-5 framework by combination of high resolution Al-27 NMR and DFT/MM calculations (en)
- Pozice hliníku v ZSM-5 zeolitu v kombinaci s 27Al 3Q MAS NMR spektroskopie a QM/MM výpočtu (cs)
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| skos:notation
| - RIV/61388955:_____/09:00322929!RIV09-AV0-61388955
|
| http://linked.open...avai/riv/aktivita
| |
| http://linked.open...avai/riv/aktivity
| - P(1ET400400413), P(GA203/06/1449), Z(AV0Z40400503)
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| http://linked.open...iv/cisloPeriodika
| |
| http://linked.open...vai/riv/dodaniDat
| |
| http://linked.open...aciTvurceVysledku
| |
| http://linked.open.../riv/druhVysledku
| |
| http://linked.open...iv/duvernostUdaju
| |
| http://linked.open...titaPredkladatele
| |
| http://linked.open...dnocenehoVysledku
| |
| http://linked.open...ai/riv/idVysledku
| - RIV/61388955:_____/09:00322929
|
| http://linked.open...riv/jazykVysledku
| |
| http://linked.open.../riv/klicovaSlova
| - MQ MAS NMR; approximate Coulomb potentials; ab-initio calculations (en)
|
| http://linked.open.../riv/klicoveSlovo
| |
| http://linked.open...odStatuVydavatele
| - GB - Spojené království Velké Británie a Severního Irska
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| http://linked.open...ontrolniKodProRIV
| |
| http://linked.open...i/riv/nazevZdroje
| - Physical Chemistry Chemical Physics
|
| http://linked.open...in/vavai/riv/obor
| |
| http://linked.open...ichTvurcuVysledku
| |
| http://linked.open...cetTvurcuVysledku
| |
| http://linked.open...vavai/riv/projekt
| |
| http://linked.open...UplatneniVysledku
| |
| http://linked.open...v/svazekPeriodika
| |
| http://linked.open...iv/tvurceVysledku
| - Dědeček, Jiří
- Li, Chengbin
- Sklenák, Štěpán
- Wichterlová, Blanka
- Sauer, J.
- Gábová, Vendula
- Sierka, M.
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| http://linked.open...ain/vavai/riv/wos
| |
| http://linked.open...n/vavai/riv/zamer
| |
| issn
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| number of pages
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