"CZ - \u010Cesk\u00E1 republika" . "5"^^ . "Complexation of the Ammonium Cation with Dibenzo-18-crown-6: Extraction and DFT Study"@en . "From extraction experiments and gamma-activity measurements, the extraction constan corresponding to the equilibrium NH4+(aq) + 1 center dot Na+(nb) double left right arrow 1 center dot NH4 (+)(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 K-ex (NH4+,1 center dot Na+) = -0.1 +/- 0.1. Further, the stability constant of the 1 center dot NH4+ complex species in water-saturated nitrobenzene was calculated for a temperature 25 degrees C as log beta (1 center dot NH4+) = 5.7 +/- 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the 1 center dot NH4+ cationic complex was derived. In this complex, the %22central%22 cation NH4+ is bound by three strong linear hydrogen bonds to the three corresponding ethereal oxygen atoms of the parent crown ligand 1. The interaction energy of the resulting complex 1 center dot NH4+ was found to be -796.1 kJ/mol, confirming"@en . . . . "RIV/60460709:41330/13:60897" . "Makrl\u00EDk, Emanuel" . "000317014600028" . "ACTA CHIMICA SLOVENICA" . . . . "From extraction experiments and gamma-activity measurements, the extraction constan corresponding to the equilibrium NH4+(aq) + 1 center dot Na+(nb) double left right arrow 1 center dot NH4 (+)(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 K-ex (NH4+,1 center dot Na+) = -0.1 +/- 0.1. Further, the stability constant of the 1 center dot NH4+ complex species in water-saturated nitrobenzene was calculated for a temperature 25 degrees C as log beta (1 center dot NH4+) = 5.7 +/- 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the 1 center dot NH4+ cationic complex was derived. In this complex, the %22central%22 cation NH4+ is bound by three strong linear hydrogen bonds to the three corresponding ethereal oxygen atoms of the parent crown ligand 1. The interaction energy of the resulting complex 1 center dot NH4+ was found to be -796.1 kJ/mol, confirming" . . "Va\u0148ura, Petr" . "1"^^ . . "3"^^ . . . . "Ammonium cation, dibenzo-18-crown-6, complexation, extraction and stability constants, water-nitrobenzene system, DFT, complex structure"@en . . "Complexation of the Ammonium Cation with Dibenzo-18-crown-6: Extraction and DFT Study" . . . . "41330" . "1318-0207" . "RIV/60460709:41330/13:60897!RIV14-MSM-41330___" . "[C658893B9C24]" . . "Complexation of the Ammonium Cation with Dibenzo-18-crown-6: Extraction and DFT Study"@en . . "66473" . "S" . "Complexation of the Ammonium Cation with Dibenzo-18-crown-6: Extraction and DFT Study" . . . "60" . "1" . "Toman, Petr" .