About: A combined experimental and theoretical study on the complexation of Ag+ with a hexaarylbenzene-based receptor

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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 exchange extraction constant corresponding to the equilibrium Ag+(aq) + 1.Cs+(nb) reversible arrow 1.Ag+(nb) + Cs+(aq) taking part in the two-phase water–nitrobenzene system (where 1 = hexaarylbenzene-based receptor; aq = aqueous phase, nb = nitrobenzene phase) was evaluated to be log10 Kex(Ag+, 1.Cs+)=1.00.1. Further, the stability constant of the hexaarylbenzenebased receptor.Ag+ complex (abbreviation 1.Ag+) in nitrobenzene saturated with water, was calculated at a temperature of 25 °C: log10 βnb(1.Ag+) = 5.5 0.2. By using quantum mechanical DFT calculations, the most probable structure of the 1.Ag+ complex species was solved. In this complex having C3 symmetry, the cation Ag+ synergistically interacts with the polar ethereal oxygen fence and with the central hydrophobic benzene ring via cation–.pi. interaction. From extraction experiments and γ -activity measurements, the exchange extraction constant corresponding to the equilibrium Ag+(aq) + 1.Cs+(nb) reversible arrow 1.Ag+(nb) + Cs+(aq) taking part in the two-phase water–nitrobenzene system (where 1 = hexaarylbenzene-based receptor; aq = aqueous phase, nb = nitrobenzene phase) was evaluated to be log10 Kex(Ag+, 1.Cs+)=1.00.1. Further, the stability constant of the hexaarylbenzenebased receptor.Ag+ complex (abbreviation 1.Ag+) in nitrobenzene saturated with water, was calculated at a temperature of 25 °C: log10 βnb(1.Ag+) = 5.5 0.2. By using quantum mechanical DFT calculations, the most probable structure of the 1.Ag+ complex species was solved. In this complex having C3 symmetry, the cation Ag+ synergistically interacts with the polar ethereal oxygen fence and with the central hydrophobic benzene ring via cation–.pi. interaction. (en)
Title	A combined experimental and theoretical study on the complexation of Ag+ with a hexaarylbenzene-based receptor A combined experimental and theoretical study on the complexation of Ag+ with a hexaarylbenzene-based receptor (en)
skos:prefLabel	A combined experimental and theoretical study on the complexation of Ag+ with a hexaarylbenzene-based receptor A combined experimental and theoretical study on the complexation of Ag+ with a hexaarylbenzene-based receptor (en)
skos:notation	RIV/61389013:_____/11:00363239!RIV12-AV0-61389013
http://linked.open...avai/riv/aktivita	P S Z
http://linked.open...avai/riv/aktivity	P(GAP205/10/2280), S, Z(AV0Z40500505), Z(AV0Z40550506), Z(MSM4977751303)
http://linked.open...iv/cisloPeriodika	8
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	183666
http://linked.open...ai/riv/idVysledku	RIV/61389013:_____/11:00363239
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	hexaarylbenzene-based receptor; silver cation; complexation (en)
http://linked.open.../riv/klicoveSlovo	complexation hexaarylbenzene-based receptor silver cation
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[8082C3C0E98C]
http://linked.open...i/riv/nazevZdroje	Journal of Solution Chemistry
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	5 (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	40
http://linked.open...iv/tvurceVysledku	Kašička, Václav Makrlík, E. Rathore, R. Toman, Petr Vaňura, P.
http://linked.open...ain/vavai/riv/wos	000294354400004
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 Regulace biologických procesů: Chemické modulátory vybraných systémů významných pro medicínu a zemědělství Predikce poruch heterogenních materiálů, komponent mechanických a biomechanických systémů.
issn	0095-9782
number of pages	9 (xsd:int)
http://bibframe.org/vocab/doi	10.1007/s10953-011-9727-x

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