About: Extraction and DFT study on the complexation of the cesium cation with dibenzo-21-crown-7

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An Entity of Type : http://linked.opendata.cz/ontology/domain/vavai/Vysledek, within Data Space : linked.opendata.cz associated with source document(s)

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	From extraction experiments and γ-activity measurements, the extraction constant corresponding to the equilibrium of cesium cation and picrate in the two-phase water-nitrobenzene system was evaluated as 4.4. Further, the stability constant of the studied complex in nitrobenzene saturated with water was calculated for a temperature of 25 °C: log beta = 6.3. Finally, by using quantum mechanical DFT calculations, the most probable structure of the resulting cationic complex species was solved. From extraction experiments and γ-activity measurements, the extraction constant corresponding to the equilibrium of cesium cation and picrate in the two-phase water-nitrobenzene system was evaluated as 4.4. Further, the stability constant of the studied complex in nitrobenzene saturated with water was calculated for a temperature of 25 °C: log beta = 6.3. Finally, by using quantum mechanical DFT calculations, the most probable structure of the resulting cationic complex species was solved. (en)
Title	Extraction and DFT study on the complexation of the cesium cation with dibenzo-21-crown-7 Extraction and DFT study on the complexation of the cesium cation with dibenzo-21-crown-7 (en)
skos:prefLabel	Extraction and DFT study on the complexation of the cesium cation with dibenzo-21-crown-7 Extraction and DFT study on the complexation of the cesium cation with dibenzo-21-crown-7 (en)
skos:notation	RIV/61389013:_____/11:00361472!RIV12-AV0-61389013
http://linked.open...avai/predkladatel	Ústav makromolekulární chemie AV ČR, v. v. i.
http://linked.open...avai/riv/aktivita	P S Z
http://linked.open...avai/riv/aktivity	P(GAP205/10/2280), S, Z(AV0Z40500505), Z(MSM4977751303)
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Toman, Petr
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 makromolekulární chemie AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	199096
http://linked.open...ai/riv/idVysledku	RIV/61389013:_____/11:00361472
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	cesium dibenzo-21-crown-7; nitrobenzene; stability constant (en)
http://linked.open.../riv/klicoveSlovo	cesium dibenzo-21-crown-7 nitrobenzene stability constant
http://linked.open...odStatuVydavatele	HU - Maďarsko
http://linked.open...ontrolniKodProRIV	[D53E72608476]
http://linked.open...i/riv/nazevZdroje	Journal of Radioanalytical and Nuclear Chemistry
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	Photogeneration and charge transport in molecular semiconductors for organic photovoltaics
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	289
http://linked.open...iv/tvurceVysledku	Makrlík, E. Toman, Petr Vaňura, P.
http://linked.open...ain/vavai/riv/wos	000293029200003
http://linked.open...n/vavai/riv/zamer	Progresivní makromolekulární materiály a supramolekulární systémy: syntéza a studium vlastností, jevů a možností využití pro speciální aplikace a moderní technologie Predikce poruch heterogenních materiálů, komponent mechanických a biomechanických systémů.
issn	0236-5731
number of pages	4 (xsd:int)
http://bibframe.org/vocab/doi	10.1007/s10967-011-1123-x
is http://linked.open...avai/riv/vysledek of	Extraction and DFT study on the complexation of the cesium cation with dibenzo-21-crown-7 Extraction and DFT study on the complexation of the cesium cation with dibenzo-21-crown-7

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