About: Calix[4]arene-bis(t-octylbenzo-18-crown-6) as an extraordinarily effective macrocyclic receptor for the univalent thallium cation

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About: Calix[4]arene-bis(t-octylbenzo-18-crown-6) as an extraordinarily effective macrocyclic receptor for the univalent thallium cation Goto Sponge NotDistinct Permalink

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	From extraction experiments and ? -activity measurements, the exchange extraction constant corresponding to the equilibrium Tl+ (aq) + 1Cs+ (org) ? 1Tl+ (org) + Cs+ (aq) taking place in the two-phase water–phenyltrifluoromethyl sulfone (abbrev. FS 13) system (1 = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, org = FS 13 phase) was evaluated as log K ex (Tl+, 1Cs+) = 1.7 ± 0.1. Further, the extraordinarily high stability constant of the 1Tl+ complex in FS 13 saturated with water was calculated for a temperature of 25 °C: log ß org(1Tl+) = 13.1 ± 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1Tl+ was derived. In the resulting 1Tl+ complex, the “central” cation Tl+ is bound by eight bond interactions to six oxygen atoms from the respective 18-crown-6 moiety and to two carbons of the corresponding two benzene rings of the parent receptor 1 via cation–? interaction. From extraction experiments and ? -activity measurements, the exchange extraction constant corresponding to the equilibrium Tl+ (aq) + 1Cs+ (org) ? 1Tl+ (org) + Cs+ (aq) taking place in the two-phase water–phenyltrifluoromethyl sulfone (abbrev. FS 13) system (1 = calix[4]arene-bis(t-octylbenzo-18-crown-6); aq = aqueous phase, org = FS 13 phase) was evaluated as log K ex (Tl+, 1Cs+) = 1.7 ± 0.1. Further, the extraordinarily high stability constant of the 1Tl+ complex in FS 13 saturated with water was calculated for a temperature of 25 °C: log ß org(1Tl+) = 13.1 ± 0.2. Finally, by using quantum mechanical DFT calculations, the most probable structure of the cationic complex species 1Tl+ was derived. In the resulting 1Tl+ complex, the “central” cation Tl+ is bound by eight bond interactions to six oxygen atoms from the respective 18-crown-6 moiety and to two carbons of the corresponding two benzene rings of the parent receptor 1 via cation–? interaction. (en)
Title	Calix[4]arene-bis(t-octylbenzo-18-crown-6) as an extraordinarily effective macrocyclic receptor for the univalent thallium cation Calix[4]arene-bis(t-octylbenzo-18-crown-6) as an extraordinarily effective macrocyclic receptor for the univalent thallium cation (en)
skos:prefLabel	Calix[4]arene-bis(t-octylbenzo-18-crown-6) as an extraordinarily effective macrocyclic receptor for the univalent thallium cation Calix[4]arene-bis(t-octylbenzo-18-crown-6) as an extraordinarily effective macrocyclic receptor for the univalent thallium cation (en)
skos:notation	RIV/60460709:41330/14:64646!RIV15-MSM-41330___
http://linked.open...avai/riv/aktivita	S
http://linked.open...avai/riv/aktivity	S
http://linked.open...iv/cisloPeriodika	3
http://linked.open...vai/riv/dodaniDat	2015
http://linked.open...aciTvurceVysledku	Makrlík, Emanuel
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Česká zemědělská univerzita v Praze / Fakulta životního prostředí
http://linked.open...dnocenehoVysledku	6098
http://linked.open...ai/riv/idVysledku	RIV/60460709:41330/14:64646
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	Thallium, Calix[4]arene-bis(t-octylbenzo-18-crown-6), Complexation, Extraction and stability constants, DFT calculations, Structures (en)
http://linked.open.../riv/klicoveSlovo	Calix[4]arene-bis(t-octylbenzo-18-crown-6) Complexation DFT calculations Structures Thallium Extraction and stability constants
http://linked.open...odStatuVydavatele	CZ - Česká republika
http://linked.open...ontrolniKodProRIV	[EEF61A210F44]
http://linked.open...i/riv/nazevZdroje	STRUCTURAL CHEMISTRY
http://linked.open...in/vavai/riv/obor	CD
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	4 (xsd:int)
http://linked.open...UplatneniVysledku	2014
http://linked.open...v/svazekPeriodika	25
http://linked.open...iv/tvurceVysledku	Makrlík, Emanuel Toman, Petr Vaňura, Petr Moyer, Bruce A.
http://linked.open...ain/vavai/riv/wos	000334514700016
issn	1040-0400
number of pages	6 (xsd:int)
http://localhost/t...ganizacniJednotka	41330

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