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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F14%3A00427713" target="_blank" >RIV/61388963:_____/14:00427713 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60460709:41330/14:64640 RIV/60461373:22340/14:43897008

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.molstruc.2013.12.061" target="_blank" >http://dx.doi.org/10.1016/j.molstruc.2013.12.061</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.molstruc.2013.12.061" target="_blank" >10.1016/j.molstruc.2013.12.061</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

From extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Sr2+(aq) + 2A(-)(aq) + 1(nb) <=> 1 center dot 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 logK(ex) (1 center dot Sr2+, 2A(-)) = 7.8 +/- 0.1. Further, the extremely high stability constant of the 1-Sr2+ complex in nitrobenzene saturated with water wascalculated for a temperature of 25 degrees C: log beta(nb) (1 center dot Sr2+) = 16.9 +/- 0.1. Finally, by using OFT calculations, the most probable structure of the cationic complex species 1.Sr2+ was derived. In the resulting complex, the "central" cation Sr' 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.

Název v anglickém jazyce

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

Popis výsledku anglicky

From extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Sr2+(aq) + 2A(-)(aq) + 1(nb) <=> 1 center dot 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 logK(ex) (1 center dot Sr2+, 2A(-)) = 7.8 +/- 0.1. Further, the extremely high stability constant of the 1-Sr2+ complex in nitrobenzene saturated with water wascalculated for a temperature of 25 degrees C: log beta(nb) (1 center dot Sr2+) = 16.9 +/- 0.1. Finally, by using OFT calculations, the most probable structure of the cationic complex species 1.Sr2+ was derived. In the resulting complex, the "central" cation Sr' 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.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2014

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Journal of Molecular Structure

ISSN

0022-2860

e-ISSN

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Svazek periodika

1061

Číslo periodika v rámci svazku

Mar 5

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

4

Strana od-do

110-113

Kód UT WoS článku

000331686500017

EID výsledku v databázi Scopus

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