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Description
| - 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
- 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)
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Title
| - Complexation of the Ammonium Cation with Dibenzo-18-crown-6: Extraction and DFT Study
- Complexation of the Ammonium Cation with Dibenzo-18-crown-6: Extraction and DFT Study (en)
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skos:prefLabel
| - Complexation of the Ammonium Cation with Dibenzo-18-crown-6: Extraction and DFT Study
- Complexation of the Ammonium Cation with Dibenzo-18-crown-6: Extraction and DFT Study (en)
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skos:notation
| - RIV/60460709:41330/13:60897!RIV14-MSM-41330___
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
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http://linked.open...iv/cisloPeriodika
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http://linked.open...vai/riv/dodaniDat
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http://linked.open...aciTvurceVysledku
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http://linked.open.../riv/druhVysledku
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http://linked.open...iv/duvernostUdaju
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http://linked.open...titaPredkladatele
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http://linked.open...dnocenehoVysledku
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http://linked.open...ai/riv/idVysledku
| - RIV/60460709:41330/13:60897
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - Ammonium cation, dibenzo-18-crown-6, complexation, extraction and stability constants, water-nitrobenzene system, DFT, complex structure (en)
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http://linked.open.../riv/klicoveSlovo
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http://linked.open...odStatuVydavatele
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http://linked.open...ontrolniKodProRIV
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http://linked.open...i/riv/nazevZdroje
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http://linked.open...in/vavai/riv/obor
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http://linked.open...ichTvurcuVysledku
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http://linked.open...cetTvurcuVysledku
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http://linked.open...UplatneniVysledku
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http://linked.open...v/svazekPeriodika
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http://linked.open...iv/tvurceVysledku
| - Makrlík, Emanuel
- Toman, Petr
- Vaňura, Petr
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http://linked.open...ain/vavai/riv/wos
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issn
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number of pages
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http://localhost/t...ganizacniJednotka
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