Complexation of Eu3 with a macrocyclic lactam receptor: Experimental and theoretical study

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F13%3A43895016" target="_blank" >RIV/60461373:22340/13:43895016 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388955:_____/13:00398198 RIV/61389013:_____/13:00398198 RIV/60460709:41330/13:60907

Výsledek na webu

<a href="http://dx.doi.org/10.1016/j.molstruc.2013.01.032" target="_blank" >http://dx.doi.org/10.1016/j.molstruc.2013.01.032</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.molstruc.2013.01.032" target="_blank" >10.1016/j.molstruc.2013.01.032</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Complexation of Eu3 with a macrocyclic lactam receptor: Experimental and theoretical study

Popis výsledku v původním jazyce

From extraction experiments and gama-activity measurements, the extraction constant corresponding to the equilibrium Eu3+(aq) + 3A?(aq) + 1 (nb) ? 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 log Kex (1?Eu3+, 3A?) = ?4.1 +- 0.1. Further, the stability constant of the 1?Eu3+ cationic complex in nitrobenzene saturated with water was calculated for atemperature of 25 °C: log betanb (1?Eu3+) = 9.0 +- 0.1. Finally, by 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-pí interaction.

Název v anglickém jazyce

Complexation of Eu3 with a macrocyclic lactam receptor: Experimental and theoretical study

Popis výsledku anglicky

From extraction experiments and gama-activity measurements, the extraction constant corresponding to the equilibrium Eu3+(aq) + 3A?(aq) + 1 (nb) ? 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 log Kex (1?Eu3+, 3A?) = ?4.1 +- 0.1. Further, the stability constant of the 1?Eu3+ cationic complex in nitrobenzene saturated with water was calculated for atemperature of 25 °C: log betanb (1?Eu3+) = 9.0 +- 0.1. Finally, by 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-pí 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

Journal of Molecular Structure

ISSN

0022-2860

e-ISSN

—

Svazek periodika

1038

Číslo periodika v rámci svazku

není

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

4

Strana od-do

216-219

Kód UT WoS článku

000316509200029

EID výsledku v databázi Scopus

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