"Rathore, Rajendra" . "From extraction experiments and gama-activity measurements, the extraction constant corresponding to the equilibrium HL+(aq) + 1.Cs+ (nb) ? 1.HL+ (nb) + Cs+(aq) taking place in the two-phase water-nitrobenzene system (HL+ = protonated hexamethylenetetramine, 1 = hexaarylbenzene - based receptor; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (HL+, 1.Cs+) = 0.5 +- 0.1. Further, the stability constant of the 1.HL+ complex in nitrobenzene saturated with water was calculated for a temperature of 25\u00B0C as log betanb (1.HL+) = 5.8 +- 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structures A and B of the 1.HL+ complex species, which are obviously in a dynamic equilibrium, were indicated. In both of these structures of the resulting complex 1.HL+ having C3 symmetry, the cation HL+ synergistically interacts with the polar ethereal oxygen fence and with the central hydrophobic benzene bottom of the parent receptor 1 via cation - p\u00ED interaction."@en . . "4"^^ . "000302762100002" . . "Journal of Molecular Structure" . . "5"^^ . . "1"^^ . "Makrl\u00EDk, Emanuel" . "1014" . . "Cooperative interaction of protonated hexamethylenetetramine with a hexaarylbenzene-based receptor: experimental and theoretical study" . "Cooperative interaction of protonated hexamethylenetetramine with a hexaarylbenzene-based receptor: experimental and theoretical study" . . "[653D278506E2]" . . "P(GAP205/10/2280), S, Z(AV0Z40500505)" . "Cooperative interaction of protonated hexamethylenetetramine with a hexaarylbenzene-based receptor: experimental and theoretical study"@en . . . "128778" . . "From extraction experiments and gama-activity measurements, the extraction constant corresponding to the equilibrium HL+(aq) + 1.Cs+ (nb) ? 1.HL+ (nb) + Cs+(aq) taking place in the two-phase water-nitrobenzene system (HL+ = protonated hexamethylenetetramine, 1 = hexaarylbenzene - based receptor; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log Kex (HL+, 1.Cs+) = 0.5 +- 0.1. Further, the stability constant of the 1.HL+ complex in nitrobenzene saturated with water was calculated for a temperature of 25\u00B0C as log betanb (1.HL+) = 5.8 +- 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structures A and B of the 1.HL+ complex species, which are obviously in a dynamic equilibrium, were indicated. In both of these structures of the resulting complex 1.HL+ having C3 symmetry, the cation HL+ synergistically interacts with the polar ethereal oxygen fence and with the central hydrophobic benzene bottom of the parent receptor 1 via cation - p\u00ED interaction." . . "Cooperative interaction of protonated hexamethylenetetramine with a hexaarylbenzene-based receptor: experimental and theoretical study"@en . . . "Va\u0148ura, Petr" . . . . "NL - Nizozemsko" . "22340" . "0022-2860" . . . "10.1016/j.molstruc.2012.01.037" . . . "RIV/60461373:22340/12:43893193" . "Toman, Petr" . . "RIV/60461373:22340/12:43893193!RIV13-MSM-22340___" . "Structure; Hexaarylbenzene - based receptor; Protonated hexamethylenetetramine; Complexation; DFT; Extraction"@en . "1" . .