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

Result code in 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>
Alternative codes found
RIV/61388955:_____/13:00421910 RIV/61389013:_____/13:00421910 RIV/60460709:41330/13:63631
Result on the web
<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>

Result language
angličtina
Original language name
Experimental and DFT study on complexation of Eu3+ with a macrocyclic lactam receptor
Original language description
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.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CB - Analytical chemistry, separation
OECD FORD branch
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Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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