Abstract
From extraction experiments and c-activity measurements, the extraction constant corresponding to the equilibrium Cs(aq) ? I(aq) ? 1(nb) , 1 Cs(nb) ? I(nb) taking place in the two–phase water–nitrobenzene system (1 = 1,3-alternate-25,27-bis(1-octyloxy)calix[4]arene-crown6; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (1 Cs, I) = 2.9 ± 0.1. Further, the stability constant of the 1 Cs complex in nitrobenzene saturated with water was calculated for a temperature of 25 C: log bnb (1 Cs) = 8.8 ± 0.1. Finally, by using quantum–mechanical DFT calculations, the most probable structure of the resulting cationic complex species 1 Cs was derived.
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