Interaction of the cesium cation with hexaethyl calix[6]arene hexaacetate: Extraction and DFT study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F15%3A43899447" target="_blank" >RIV/60461373:22340/15:43899447 - isvavai.cz</a>
Alternative codes found
RIV/60460709:41330/15:68298 RIV/60461373:22810/15:43899447
Result on the web
<a href="http://dx.doi.org/10.1016/j.molliq.2015.05.016" target="_blank" >http://dx.doi.org/10.1016/j.molliq.2015.05.016</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molliq.2015.05.016" target="_blank" >10.1016/j.molliq.2015.05.016</a>

Result language
angličtina
Original language name
Interaction of the cesium cation with hexaethyl calix[6]arene hexaacetate: Extraction and DFT study
Original language description
On the basis of extraction experiments and gamma-activity measurements, the extraction constant corresponding to the equilibrium Cs+ (aq) + A(-) (aq) + 1( nb) reversible arrow 1. Cs+ ( nb) + A(-)(nb) occurring in the two-phase water-nitrobenzene system (1 = hexaethyl calix[6]arene hexaacetate; A- = picrate, aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K-ex (1. Cs+, A(-)) = 6.8 +/- 0.1. Further, the very high stability constant of the 1. Cs+ complex in nitrobenzene saturated with water was calculated for a temperature of 25 degrees C: log beta(nb) (1.Cs+) = 8.7 +/- 0.1. Finally, applying quantum mechanical DFT calculations, the most probable structure of the proven 1. Cs+ cationic complex species was derived. In the resulting complex, the "central" cation Cs+ is bound by six very strong bonding interactions to the corresponding six oxygen atoms of the parent ligand 1. The interaction energy of the considered 1.Cs+ complex was found to be -308.0 kJ/mol, confirming th
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
2015
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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