Complexation of the sodium cation with sodium ionophore III: Experimental and theoretical study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22310%2F14%3A43897072" target="_blank" >RIV/60461373:22310/14:43897072 - isvavai.cz</a>
Alternative codes found
RIV/60460709:41330/14:64647 RIV/60461373:22340/14:43897072
Result on the web
<a href="http://dx.doi.org/10.1016/j.molstruc.2014.03.020" target="_blank" >http://dx.doi.org/10.1016/j.molstruc.2014.03.020</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molstruc.2014.03.020" target="_blank" >10.1016/j.molstruc.2014.03.020</a>

Result language
angličtina
Original language name
Complexation of the sodium cation with sodium ionophore III: Experimental and theoretical study
Original language description
By using extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Ne+(aq) + A(-)(aq) + 1(nb) reversible arrow 1 center dot Na+(nb) + A(-)(nb) occurring in the two-phase water - nitrobenzene system (A(-) = picrate, 1 = sodium ionophore III; aq = aqueous phase, nb = nitrobenzene phase) was determined as logK(ex) (1 center dot Na+, A(-)) = 1.5 +/- 0.1. Further, the stability constant of the 1 center dot Na+ complex in nitrobenzene saturated with waterwas calculated for a temperature of 25 degrees C: log beta(nb) (1 center dot Na+)= 6.7 +/- 0.1. Finally, applying quantum mechanical DFT calculations, the most probable structure of the nonhydrated 1 center dot Na+ and hydrated 1 center dot Na+center dot 2H(2)O cationic complex species were derived. In both of these complexes, the ''central'' cation Na+ is bound by four bonding interactions to the corresponding four oxygen atoms of the parent ligand 1. Besides, in the case of 1 center d
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
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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