About: Extraction and DFT study on the complexation of the sodium cation with dibenzo-18-crown-6

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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)

Attributes	Values
rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://acta.chem-soc.si/58/58-2-355.pdf
Description	From extraction experiments and γ-activity measurements, the extraction constant corresponding to the equilibrium Na+(aq) + A–(aq) + 1(nb) reversible arrow 1.Na+(nb) + A–(nb) taking place in the two–phase water–nitrobenzene system (A– = picrate, 1 = dibenzo-18-crown-6; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as was log Kex (1.Na+, A–) = 1.7 0.1. Further, the stability constant of the complex 1.Na+ in nitrobenzene saturated with water calculated for a temperature of 25 °C: log βnb (1.Na+) = 6.9 0.1. Finally, by using quantum mechanical DFT calculations, the most probable structures of the resulting complex were solved. From extraction experiments and γ-activity measurements, the extraction constant corresponding to the equilibrium Na+(aq) + A–(aq) + 1(nb) reversible arrow 1.Na+(nb) + A–(nb) taking place in the two–phase water–nitrobenzene system (A– = picrate, 1 = dibenzo-18-crown-6; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as was log Kex (1.Na+, A–) = 1.7 0.1. Further, the stability constant of the complex 1.Na+ in nitrobenzene saturated with water calculated for a temperature of 25 °C: log βnb (1.Na+) = 6.9 0.1. Finally, by using quantum mechanical DFT calculations, the most probable structures of the resulting complex were solved. (en)
Title	Extraction and DFT study on the complexation of the sodium cation with dibenzo-18-crown-6 Extraction and DFT study on the complexation of the sodium cation with dibenzo-18-crown-6 (en)
skos:prefLabel	Extraction and DFT study on the complexation of the sodium cation with dibenzo-18-crown-6 Extraction and DFT study on the complexation of the sodium cation with dibenzo-18-crown-6 (en)
skos:notation	RIV/61389013:_____/11:00363234!RIV12-AV0-61389013
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GAP205/10/2280), Z(AV0Z40500505), Z(MSM4977751303), Z(MSM6046137301)
http://linked.open...iv/cisloPeriodika	2
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	199097
http://linked.open...ai/riv/idVysledku	RIV/61389013:_____/11:00363234
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	sodium cation; dibenzo-18-crown-6; complexation (en)
http://linked.open.../riv/klicoveSlovo	dibenzo-18-crown-6 sodium cation complexation
http://linked.open...odStatuVydavatele	SI - Slovinská republika
http://linked.open...ontrolniKodProRIV	[388010EF12AB]
http://linked.open...i/riv/nazevZdroje	Acta Chimica Slovenica
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	58
http://linked.open...iv/tvurceVysledku	Makrlík, E. Toman, Petr Vaňura, P.
http://linked.open...ain/vavai/riv/wos	000292536600022
http://linked.open...n/vavai/riv/zamer	Catalytic processes in chemistry and chemical technology 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	1318-0207
number of pages	5 (xsd:int)

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