Makrlík Emanuel, Toman Petr, Vaňura Petr
Acta Chim Slov. 2012 Mar;59(1):199-202.
From extraction experiments and γ-activity measurements, the extraction constant corresponding to the equilibrium Tl+(aq) + 1.Na+(nb) <-> 1.Tl+(nb) + Na+(aq) taking place in the two-phase water-nitrobenzene system (1 = dibenzo-18-crown-6; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex(Tl+, 1.Na+) = 2.1. Further, the stability constant of the complex 1.Tl+ in nitrobenzene saturated with water was calculated for a temperature of 25 °C: log βnb (1.Tl+) = 6.6. Finally, by using quantum mechanical DFT calculations, the most probable structure of the resulting complex 1.Tl+ was solved.
通过萃取实验和γ活性测量，评估了在水-硝基苯两相体系（1 = 二苯并-18-冠-6；aq = 水相，nb = 硝基苯相）中发生的平衡Tl+(aq) + 1.Na+(nb) <-> 1.Tl+(nb) + Na+(aq) 对应的萃取常数，结果为log Kex(Tl+, 1.Na+) = 2.1。此外，计算了25℃时在水饱和的硝基苯中配合物1.Tl+的稳定常数：log βnb (1.Tl+) = 6.6。最后，通过量子力学DFT计算，解析了所得配合物1.Tl+最可能的结构。
