Interaction of the thallium cation with 1,3-alternate-25,27-bis(1-octyloxy)calix[4]arene-crown-6: Experimental and theoretical study

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F13%3A43895048" target="_blank" >RIV/60461373:22340/13:43895048 - isvavai.cz</a>
Alternative codes found
RIV/61389013:_____/13:00393887 RIV/60460709:41330/13:60888
Result on the web
<a href="http://dx.doi.org/10.1016/j.molstruc.2013.03.025" target="_blank" >http://dx.doi.org/10.1016/j.molstruc.2013.03.025</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.molstruc.2013.03.025" target="_blank" >10.1016/j.molstruc.2013.03.025</a>

Result language
angličtina
Original language name
Interaction of the thallium cation with 1,3-alternate-25,27-bis(1-octyloxy)calix[4]arene-crown-6: Experimental and theoretical study
Original language description
From extraction experiments and gama-activity measurements, the extraction constant corresponding to the equilibrium Tl+ (aq) + 1?Cs+ (nb) = 1?Tl+ (nb) + Cs+ (aq) taking place in the two-phase water-nitrobenzene system (1 = 1,3-alternate-25,27-bis(1-octyloxy)calix[4]arene-crown-6; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (Tl+, 1?Cs+) = ?2.1 +- 0.1. Further, the stability constant of the 1?Tl+ complex in nitrobenzene saturated with water was calculated for a temperature of 25°C: log betanb(1?Tl+) = 11.6 +- 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structures A and B of the cationic complex species 1?Tl+, which are obviously in a dynamic equilibrium, were indicated. In both of these structures of the resulting 1?Tl+ complex, the "central" cation Tl+ is bound by eight strong bond interactions to six oxygen atoms from the 18-crown-6 moiety and to two carbons of the respective two benzene rings of the parent ligand 1 via cati
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
<a href="/en/project/GA203%2F09%2F1478" target="_blank" >GA203/09/1478: Poloxamers and their modification ? micelisation and gelation mechanism</a><br>
Continuities
S - Specificky vyzkum na vysokych skolach

Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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