Complexation of the calcium cation with antamanide: an experimental and theoretical study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F15%3A43899380" target="_blank" >RIV/60461373:22340/15:43899380 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/60460709:41330/15:68299 RIV/60461373:22810/15:43899380

Výsledek na webu

<a href="http://www.tandfonline.com/doi/full/10.1080/00268976.2015.1006276" target="_blank" >http://www.tandfonline.com/doi/full/10.1080/00268976.2015.1006276</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1080/00268976.2015.1006276" target="_blank" >10.1080/00268976.2015.1006276</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Complexation of the calcium cation with antamanide: an experimental and theoretical study

Popis výsledku v původním jazyce

By using extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Ca2+(aq) + 1 center dot Sr2+(nb) [GRAPHICS] 1 center dot Ca2+(nb) + Sr2+(aq) occurring in the two-phase water-nitrobenzene system (1= antamanide; aq = aqueous phase, nb = nitrobenzene phase) was determined as logK(ex) (Ca2+, 1 center dot Sr2+) = 1.6 +/- 0.1. Further, the stability constant of the 1 center dot Ca2+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C: log beta(nb) (1 center dot Ca2+) = 10.9 +/- 0.2. Finally, applying quantum mechanical density functional level of theory calculations, the most probable structure of the cationic complex species 1 center dot Ca2+ was derived. Inthe resulting complex, the 'central' cation Ca2+ is bound by six strong bonding interactions to the corresponding six carbonyl oxygen atoms of the parent ligand1. Besides, the whole 1 center dot Ca2+ complex structure is stabilised by tw

Název v anglickém jazyce

Complexation of the calcium cation with antamanide: an experimental and theoretical study

Popis výsledku anglicky

By using extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Ca2+(aq) + 1 center dot Sr2+(nb) [GRAPHICS] 1 center dot Ca2+(nb) + Sr2+(aq) occurring in the two-phase water-nitrobenzene system (1= antamanide; aq = aqueous phase, nb = nitrobenzene phase) was determined as logK(ex) (Ca2+, 1 center dot Sr2+) = 1.6 +/- 0.1. Further, the stability constant of the 1 center dot Ca2+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C: log beta(nb) (1 center dot Ca2+) = 10.9 +/- 0.2. Finally, applying quantum mechanical density functional level of theory calculations, the most probable structure of the cationic complex species 1 center dot Ca2+ was derived. Inthe resulting complex, the 'central' cation Ca2+ is bound by six strong bonding interactions to the corresponding six carbonyl oxygen atoms of the parent ligand1. Besides, the whole 1 center dot Ca2+ complex structure is stabilised by tw

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

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Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2015

Kód důvěrnosti údajů

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

Název periodika

Molecular Physics

ISSN

0026-8976

e-ISSN

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Svazek periodika

113

Číslo periodika v rámci svazku

12

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

6

Strana od-do

1472-1477

Kód UT WoS článku

000355127200010

EID výsledku v databázi Scopus

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