About: Lithium ionophore VIII as an extraordinarily effective receptor for the strontium cation: Experimental and theoretical study

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	From extraction experiments and ?-activity measurements, the extraction constant corresponding to the equilibrium Sr2+(aq) + 2A-(aq) + 1(nb) = 1.Sr2+(nb) + 2A-(nb) taking place in the two–phase water–nitrobenzene system (A- = picrate, 1 = lithium ionophore VIII; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (1.Sr2+, 2A-) = 7.8 ± 0.1. Further, the extremely high stability constant of the 1.Sr2+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 °C: log ßnb (1.Sr2+) = 16.9 ± 0.1. Finally, by using DFT calculations, the most probable structure of the cationic complex species 1.Sr2+ was derived. In the resulting complex, the “central” cation Sr2+ is bound by six very strong bond interactions to the corresponding six oxygen atoms of the parent ligand 1; the interaction energy of this complex was found to be -959.9 kJ/mol. From extraction experiments and ?-activity measurements, the extraction constant corresponding to the equilibrium Sr2+(aq) + 2A-(aq) + 1(nb) = 1.Sr2+(nb) + 2A-(nb) taking place in the two–phase water–nitrobenzene system (A- = picrate, 1 = lithium ionophore VIII; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (1.Sr2+, 2A-) = 7.8 ± 0.1. Further, the extremely high stability constant of the 1.Sr2+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 °C: log ßnb (1.Sr2+) = 16.9 ± 0.1. Finally, by using DFT calculations, the most probable structure of the cationic complex species 1.Sr2+ was derived. In the resulting complex, the “central” cation Sr2+ is bound by six very strong bond interactions to the corresponding six oxygen atoms of the parent ligand 1; the interaction energy of this complex was found to be -959.9 kJ/mol. (en)
Title	Lithium ionophore VIII as an extraordinarily effective receptor for the strontium cation: Experimental and theoretical study Lithium ionophore VIII as an extraordinarily effective receptor for the strontium cation: Experimental and theoretical study (en)
skos:prefLabel	Lithium ionophore VIII as an extraordinarily effective receptor for the strontium cation: Experimental and theoretical study Lithium ionophore VIII as an extraordinarily effective receptor for the strontium cation: Experimental and theoretical study (en)
skos:notation	RIV/60460709:41330/14:64640!RIV15-MSM-41330___
http://linked.open...avai/riv/aktivita	I S
http://linked.open...avai/riv/aktivity	I, S
http://linked.open...iv/cisloPeriodika	1061
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Makrlík, Emanuel
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	Česká zemědělská univerzita v Praze / Fakulta životního prostředí
http://linked.open...dnocenehoVysledku	26384
http://linked.open...ai/riv/idVysledku	RIV/60460709:41330/14:64640
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Strontium cation, Lithium ionophore VIII, Complexation, Extraction and stability constants, DFT calculations, Structures (en)
http://linked.open.../riv/klicoveSlovo	Lithium ionophore VIII Strontium cation Complexation DFT calculations Structures Extraction and stability constants
http://linked.open...odStatuVydavatele	CZ - Česká republika
http://linked.open...ontrolniKodProRIV	[F30D7416BA3B]
http://linked.open...i/riv/nazevZdroje	JOURNAL OF MOLECULAR STRUCTURE
http://linked.open...in/vavai/riv/obor	CA
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	2014
http://linked.open...iv/tvurceVysledku	Bouř, Petr Makrlík, Emanuel Novák, Vít Vaňura, Petr
http://linked.open...ain/vavai/riv/wos	000331686500017
issn	0022-2860
number of pages	4 (xsd:int)
http://localhost/t...ganizacniJednotka	41330

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