About: Extraction and theoretical study on complexation of the strontium cation with antamanide

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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://dx.doi.org/10.1007/s10967-014-3098-x
Description	By using extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Sr2+(aq) + 2A(-)(aq) + 1(nb) a double dagger%22 1 center dot Sr2+(nb) + 2A(-)(nb) occurring in the two-phase water-nitrobenzene system (A(-) = picrate, 1 = antamanide; aq = aqueous phase, nb = nitrobenzene phase) was determined as log K (ex) (1 center dot Sr2+, 2A(-)) = -0.3 +/- A 0.1. Further, the stability constant of the 1 center dot Sr2+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 A degrees C: log beta (nb) (1 center dot Sr2+) = 8.8 +/- A 0.1. Finally, applying quantum mechanical density functional level of theory calculations, the most probable structure of the cationic complex species 1 center dot Sr2+ was derived. In the resulting complex, the %22central%22 cation Sr2+ is bound by six bond interactions to the corresponding six oxygen atoms of the parent ligand 1. The interaction energy of the considered 1 center dot Sr2+ complex was found to be -1,114.9 kJ/mol, confirming the formation of this cationic species as well. By using extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Sr2+(aq) + 2A(-)(aq) + 1(nb) a double dagger%22 1 center dot Sr2+(nb) + 2A(-)(nb) occurring in the two-phase water-nitrobenzene system (A(-) = picrate, 1 = antamanide; aq = aqueous phase, nb = nitrobenzene phase) was determined as log K (ex) (1 center dot Sr2+, 2A(-)) = -0.3 +/- A 0.1. Further, the stability constant of the 1 center dot Sr2+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 A degrees C: log beta (nb) (1 center dot Sr2+) = 8.8 +/- A 0.1. Finally, applying quantum mechanical density functional level of theory calculations, the most probable structure of the cationic complex species 1 center dot Sr2+ was derived. In the resulting complex, the %22central%22 cation Sr2+ is bound by six bond interactions to the corresponding six oxygen atoms of the parent ligand 1. The interaction energy of the considered 1 center dot Sr2+ complex was found to be -1,114.9 kJ/mol, confirming the formation of this cationic species as well. (en)
Title	Extraction and theoretical study on complexation of the strontium cation with antamanide Extraction and theoretical study on complexation of the strontium cation with antamanide (en)
skos:prefLabel	Extraction and theoretical study on complexation of the strontium cation with antamanide Extraction and theoretical study on complexation of the strontium cation with antamanide (en)
skos:notation	RIV/60461373:22810/14:43897121!RIV15-MSM-22810___
http://linked.open...avai/riv/aktivita	S
http://linked.open...avai/riv/aktivity	S
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Böhm, Stanislav
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	Vysoká škola chemicko-technologická v Praze / Rektorát
http://linked.open...dnocenehoVysledku	16225
http://linked.open...ai/riv/idVysledku	RIV/60461373:22810/14:43897121
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Structures; DFT calculations; Water-nitrobenzene system; Extraction and stability constants; Complexation; Antamanide; Strontium cation (en)
http://linked.open.../riv/klicoveSlovo	Strontium cation Water-nitrobenzene system Complexation DFT calculations Structures Extraction and stability constants Antamanide
http://linked.open...odStatuVydavatele	DE - Spolková republika Německo
http://linked.open...ontrolniKodProRIV	[DE4989B87BD7]
http://linked.open...i/riv/nazevZdroje	Journal of Radioanalytical and Nuclear Chemistry
http://linked.open...in/vavai/riv/obor	CB
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	300
http://linked.open...iv/tvurceVysledku	Böhm, Stanislav Makrlík, Emanuel Vaňura, Petr Ruzza, P.
http://linked.open...ain/vavai/riv/wos	000335673800045
issn	0236-5731
number of pages	4 (xsd:int)
http://bibframe.org/vocab/doi	10.1007/s10967-014-3098-x
http://localhost/t...ganizacniJednotka	22810

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