Experimental and theoretical study on interaction of the potassium cation with antamanide

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F14%3A43897031" target="_blank" >RIV/60461373:22340/14:43897031 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60460709:41330/14:64642 RIV/60461373:22810/14:43897031

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.chemphys.2014.02.002" target="_blank" >http://dx.doi.org/10.1016/j.chemphys.2014.02.002</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.chemphys.2014.02.002" target="_blank" >10.1016/j.chemphys.2014.02.002</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Experimental and theoretical study on interaction of the potassium cation with antamanide

Popis výsledku v původním jazyce

On the basis of extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium K+ (aq) + 1 center dot Na+ (nb) reversible arrow 1 center dot K+ (nb) + Na+ (aq) taking part in the two-phase water-nitrobenzene system (1 = antamanide; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K-ex (K+, 1 center dot Na+) = 0.2 +/- 0.1. Further, the stability constant of the 1 center dot K+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C: log beta(nb) (1 center dot K+) = 4.7 +/- 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1 center dot K+ was derived. In the resulting complex, the "central'' cation K+ is bound by four bond interactions to the corresponding four carbonyl oxygen atoms of the parent ligand 1. Besides, the whole 1 center dot K+ complex structure is stabilized by two intramolecular hydrogen bonds. The in

Název v anglickém jazyce

Experimental and theoretical study on interaction of the potassium cation with antamanide

Popis výsledku anglicky

On the basis of extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium K+ (aq) + 1 center dot Na+ (nb) reversible arrow 1 center dot K+ (nb) + Na+ (aq) taking part in the two-phase water-nitrobenzene system (1 = antamanide; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K-ex (K+, 1 center dot Na+) = 0.2 +/- 0.1. Further, the stability constant of the 1 center dot K+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C: log beta(nb) (1 center dot K+) = 4.7 +/- 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1 center dot K+ was derived. In the resulting complex, the "central'' cation K+ is bound by four bond interactions to the corresponding four carbonyl oxygen atoms of the parent ligand 1. Besides, the whole 1 center dot K+ complex structure is stabilized by two intramolecular hydrogen bonds. The in

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

Chemical Physics

ISSN

0301-0104

e-ISSN

—

Svazek periodika

433

Číslo periodika v rámci svazku

neuvedeno

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

4

Strana od-do

85-88

Kód UT WoS článku

000333405100010

EID výsledku v databázi Scopus

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