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Description
| - Kombinace VTIR spektroskopie a DFT výpočtů byla použita ke studiu interakce CO se zeolitem K-FER. Na základě shody mezi experimentálními a teoretickými výsledky byly identifikovány následující typy karbonylů: (i) mono- a dikarbonyly vázané C atomem na izolovaných K+ iontech s frekvencemi 2163 a 2161 cm-1, (ii) komplexy vytvořené CO vázaným mezi dvěma K+ ionty vzdálenými od sebe 7-8 (duální pozice) s frekvencí 2148 cm-1 a (iii) isokarbonyly (vázané O atomem) s frekvencí 2116 cm-1. (cs)
- Interaction of CO with K-FER zeolite was investigated by a combination of variable temperature IR spectroscopy and computational study. Based on agreement between experimental and calculated results the following carbonyl complexes were identified: (i) mono- and dicarbonyl C-down complexes on single K+ sites characterized by IR absorption bands at 2163 and 2161 cm-1, respectively, (ii) complexes formed by CO bridging two K+ ions separated by about 7-8 (dual sites) characterized by a band at 2148 cm-1, and (iii) isocarbonyl (O-down) complexes characterized by a band at 2116 cm-1.
- Interaction of CO with K-FER zeolite was investigated by a combination of variable temperature IR spectroscopy and computational study. Based on agreement between experimental and calculated results the following carbonyl complexes were identified: (i) mono- and dicarbonyl C-down complexes on single K+ sites characterized by IR absorption bands at 2163 and 2161 cm-1, respectively, (ii) complexes formed by CO bridging two K+ ions separated by about 7-8 (dual sites) characterized by a band at 2148 cm-1, and (iii) isocarbonyl (O-down) complexes characterized by a band at 2116 cm-1. (en)
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Title
| - Single and dual cation sites in zeolites: Theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER
- Single a duální kationtové pozice v zeolitech: Teoretická a FTIR studie adsorbce CO v zeolitu K-FER (cs)
- Single and dual cation sites in zeolites: Theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER (en)
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skos:prefLabel
| - Single and dual cation sites in zeolites: Theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER
- Single a duální kationtové pozice v zeolitech: Teoretická a FTIR studie adsorbce CO v zeolitu K-FER (cs)
- Single and dual cation sites in zeolites: Theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER (en)
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skos:notation
| - RIV/61388963:_____/06:00043637!RIV07-AV0-61388963
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http://linked.open.../vavai/riv/strany
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(GA203/06/0324), P(LC512), Z(AV0Z40550506)
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/61388963:_____/06:00043637
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - vibrational dynamics; IR spectroscopy; periodic DFT (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
| - US - Spojené státy americké
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
| - Journal of Physical Chemistry B
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...vavai/riv/projekt
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Areán, C. O.
- Bulánek, R.
- Delgado, M. R.
- Frolich, K.
- Nachtigall, Petr
- Nachtigallová, Dana
- Garrone, E.
- Palomino, G. T.
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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