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Statements

Subject Item
n2:RIV%2F61388963%3A_____%2F06%3A00043637%21RIV07-AV0-61388963
rdf:type
skos:Concept n16:Vysledek
dcterms: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. 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.
dcterms: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 Single and dual cation sites in zeolites: Theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER
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 Single and dual cation sites in zeolites: Theoretical calculations and FTIR spectroscopic studies on CO adsorption on K-FER
skos:notation
RIV/61388963:_____/06:00043637!RIV07-AV0-61388963
n3:strany
22542;22550
n3:aktivita
n11:Z n11:P
n3:aktivity
P(GA203/06/0324), P(LC512), Z(AV0Z40550506)
n3:cisloPeriodika
45
n3:dodaniDat
n4:2007
n3:domaciTvurceVysledku
n17:9831339 n17:1747681
n3:druhVysledku
n15:J
n3:duvernostUdaju
n12:S
n3:entitaPredkladatele
n13:predkladatel
n3:idSjednocenehoVysledku
499479
n3:idVysledku
RIV/61388963:_____/06:00043637
n3:jazykVysledku
n18:eng
n3:klicovaSlova
vibrational dynamics; IR spectroscopy; periodic DFT
n3:klicoveSlovo
n9:IR%20spectroscopy n9:vibrational%20dynamics n9:periodic%20DFT
n3:kodStatuVydavatele
US - Spojené státy americké
n3:kontrolniKodProRIV
[B6A3E2909F31]
n3:nazevZdroje
Journal of Physical Chemistry B
n3:obor
n10:CF
n3:pocetDomacichTvurcuVysledku
2
n3:pocetTvurcuVysledku
8
n3:projekt
n6:GA203%2F06%2F0324 n6:LC512
n3:rokUplatneniVysledku
n4:2006
n3:svazekPeriodika
110
n3:tvurceVysledku
Areán, C. O. Garrone, E. Nachtigall, Petr Delgado, M. R. Bulánek, R. Nachtigallová, Dana Palomino, G. T. Frolich, K.
n3:zamer
n14:AV0Z40550506
s:issn
1520-6106
s:numberOfPages
9