Complexation of the sodium cation with sodium ionophore III: Experimental and theoretical study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F14%3A43897072" target="_blank" >RIV/60461373:22310/14:43897072 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60460709:41330/14:64647 RIV/60461373:22340/14:43897072

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.molstruc.2014.03.020" target="_blank" >http://dx.doi.org/10.1016/j.molstruc.2014.03.020</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.molstruc.2014.03.020" target="_blank" >10.1016/j.molstruc.2014.03.020</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Complexation of the sodium cation with sodium ionophore III: Experimental and theoretical study

Popis výsledku v původním jazyce

By using extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Ne+(aq) + A(-)(aq) + 1(nb) reversible arrow 1 center dot Na+(nb) + A(-)(nb) occurring in the two-phase water - nitrobenzene system (A(-) = picrate, 1 = sodium ionophore III; aq = aqueous phase, nb = nitrobenzene phase) was determined as logK(ex) (1 center dot Na+, A(-)) = 1.5 +/- 0.1. Further, the stability constant of the 1 center dot Na+ complex in nitrobenzene saturated with waterwas calculated for a temperature of 25 degrees C: log beta(nb) (1 center dot Na+)= 6.7 +/- 0.1. Finally, applying quantum mechanical DFT calculations, the most probable structure of the nonhydrated 1 center dot Na+ and hydrated 1 center dot Na+center dot 2H(2)O cationic complex species were derived. In both of these complexes, the ''central'' cation Na+ is bound by four bonding interactions to the corresponding four oxygen atoms of the parent ligand 1. Besides, in the case of 1 center d

Název v anglickém jazyce

Complexation of the sodium cation with sodium ionophore III: Experimental and theoretical study

Popis výsledku anglicky

By using extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Ne+(aq) + A(-)(aq) + 1(nb) reversible arrow 1 center dot Na+(nb) + A(-)(nb) occurring in the two-phase water - nitrobenzene system (A(-) = picrate, 1 = sodium ionophore III; aq = aqueous phase, nb = nitrobenzene phase) was determined as logK(ex) (1 center dot Na+, A(-)) = 1.5 +/- 0.1. Further, the stability constant of the 1 center dot Na+ complex in nitrobenzene saturated with waterwas calculated for a temperature of 25 degrees C: log beta(nb) (1 center dot Na+)= 6.7 +/- 0.1. Finally, applying quantum mechanical DFT calculations, the most probable structure of the nonhydrated 1 center dot Na+ and hydrated 1 center dot Na+center dot 2H(2)O cationic complex species were derived. In both of these complexes, the ''central'' cation Na+ is bound by four bonding interactions to the corresponding four oxygen atoms of the parent ligand 1. Besides, in the case of 1 center d

Druh

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

CEP obor

CB - Analytická chemie, separace

OECD FORD obor

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Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

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

—

Svazek periodika

1067

Číslo periodika v rámci svazku

neuvedeno

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

4

Strana od-do

216-219

Kód UT WoS článku

000336342100027

EID výsledku v databázi Scopus

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