Experimental and DFT study on complexation of Eu3+ with a macrocyclic lactam receptor

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F13%3A43895231" target="_blank" >RIV/60461373:22340/13:43895231 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388955:_____/13:00421910 RIV/61389013:_____/13:00421910 RIV/60460709:41330/13:63631

Výsledek na webu

<a href="http://dx.doi.org/10.1007/s11224-013-0219-z" target="_blank" >http://dx.doi.org/10.1007/s11224-013-0219-z</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1007/s11224-013-0219-z" target="_blank" >10.1007/s11224-013-0219-z</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Experimental and DFT study on complexation of Eu3+ with a macrocyclic lactam receptor

Popis výsledku v původním jazyce

From extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Eu3+(aq) + 3A(-)(aq) + 1(nb) double left right arrow 1 . Eu3+(nb) + 3A(-)(nb) taking place in the two-phase water-nitrobenzene system (A(-) = CF3SO3-; 1 = macrocyclic lactam receptor-see Scheme 1; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as logK(ex)(1 . Eu3+; 3A) = -4.9 +/- 0.1. Further, the stability constant of the 1.Eu3+ cationic complex in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C: log beta(nb)(1 . Eu3+) = 8.2 +/- 0.1. Finally, using DFT calculations, the most probable structure of the cationic complex species 1.Eu3+ was derived. In the resulting 1.Eu3+ complex, the "central" cation Eu3+ is bound by five bond interactions to two ethereal oxygen atoms and two carbonyl oxygens, as well as to one carbon atom of the corresponding benzene ring of the parent macrocyclic lactam receptor 1 via cation-pi interaction.

Název v anglickém jazyce

Experimental and DFT study on complexation of Eu3+ with a macrocyclic lactam receptor

Popis výsledku anglicky

From extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Eu3+(aq) + 3A(-)(aq) + 1(nb) double left right arrow 1 . Eu3+(nb) + 3A(-)(nb) taking place in the two-phase water-nitrobenzene system (A(-) = CF3SO3-; 1 = macrocyclic lactam receptor-see Scheme 1; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as logK(ex)(1 . Eu3+; 3A) = -4.9 +/- 0.1. Further, the stability constant of the 1.Eu3+ cationic complex in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C: log beta(nb)(1 . Eu3+) = 8.2 +/- 0.1. Finally, using DFT calculations, the most probable structure of the cationic complex species 1.Eu3+ was derived. In the resulting 1.Eu3+ complex, the "central" cation Eu3+ is bound by five bond interactions to two ethereal oxygen atoms and two carbonyl oxygens, as well as to one carbon atom of the corresponding benzene ring of the parent macrocyclic lactam receptor 1 via cation-pi interaction.

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

2013

Kód důvěrnosti údajů

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

Název periodika

Structural Chemistry

ISSN

1040-0400

e-ISSN

—

Svazek periodika

24

Číslo periodika v rámci svazku

6

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

5

Strana od-do

2149-2153

Kód UT WoS článku

000328326800036

EID výsledku v databázi Scopus

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