Complexation of the strontium cation with a macrocyclic lactam receptor: Experimental and theoretical study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F16%3A43901622" target="_blank" >RIV/60461373:22340/16:43901622 - isvavai.cz</a>
Alternative codes found
RIV/61388955:_____/16:00462053 RIV/60460709:41330/16:71233
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S0167732215310734" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0167732215310734</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molliq.2015.11.059" target="_blank" >10.1016/j.molliq.2015.11.059</a>

Result language
angličtina
Original language name
Complexation of the strontium cation with a macrocyclic lactam receptor: Experimental and theoretical study
Original language description
On the basis of extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Sr2+(aq) + 2A(-)(aq) + 1 (nb) reversible arrow 1.Sr2+ (nb) 2A(-)(nb) occurring in the two-phase water nitrobenzene system (A(-) = picrate, 1 = macrocyclic lactam receptor see Scheme 1; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K-ex (1.Sr2+ + 2A(-)) = 4.0 +/- 0.1. Further, the stability constant of the 1.Sr2+ cationic complex in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C: log beta(nb) (1.Sr2+) = 5.1 0.1. Finally, applying quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1.Sr2+ was derived. In the resulting complex, which is most energetically favored, the "central" cation Sr2+ is bound by five bonding 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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Project
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Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2016
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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