Complexation of the Silver Cation with Dibenzo-30-crown-10: Extraction and DFT Study.
From extraction experiments and γ-activity measurements, the exchange extraction constant corresponding to the equilibrium Ag+(aq) + 1.Cs+(nb) <-> 1.Ag+ (nb) + Cs+(aq) taking place in the two-phase water-nitrobenzene system (1 = dibenzo-30-crown-10; aq = aqueous phase, nb = nitrobenzene phase) was determined as log Kex (Ag+, 1.Cs+) = -1.7 ± 0.1. Further, the stability constant of the complex 1.Ag+ in nitrobenzene saturated with water was calculated for a temperature of 25 °C: log βnb (1.Ag+) = 6.0 ± 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the resulting complex 1.Ag+ was solved.
Emanuel
E
Makrlík
Petr
P
Toman
Petr
P
Vaňura