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rdf:type
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Description
| - 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°C 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 - pí interaction.
- 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°C 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 - pí interaction. (en)
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Title
| - 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 (en)
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skos:prefLabel
| - 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 (en)
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skos:notation
| - RIV/60461373:22340/12:43893193!RIV13-MSM-22340___
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http://linked.open...avai/riv/aktivita
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http://linked.open...avai/riv/aktivity
| - P(GAP205/10/2280), S, Z(AV0Z40500505)
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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/60461373:22340/12:43893193
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http://linked.open...riv/jazykVysledku
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http://linked.open.../riv/klicovaSlova
| - Structure; Hexaarylbenzene - based receptor; Protonated hexamethylenetetramine; Complexation; DFT; Extraction (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
| - Journal of Molecular Structure
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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...vavai/riv/projekt
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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
- Rathore, Rajendra
- Toman, Petr
- Vaňura, Petr
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http://linked.open...ain/vavai/riv/wos
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http://linked.open...n/vavai/riv/zamer
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issn
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number of pages
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http://bibframe.org/vocab/doi
| - 10.1016/j.molstruc.2012.01.037
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http://localhost/t...ganizacniJednotka
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