Experimental and theoretical study on complexation of the cesium cation with calix[4]arene-(1,2-phenylene-crown-6,crown-6)

Experimental and theoretical study on complexation of the cesium cation with calix[4]arene-(1,2-phenylene-crown-6,crown-6)

Extraction experiments in the two-phase water–nitrobenzene system and γ-activity measurements were used to determine the stability constant of the calix[4]arene-(1,2-phenylene-crown-6,crown-6)–Cs + complex dissolved in nitrobenzene saturated with water. Further, applying quantum-mechanical density f...

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Veröffentlicht in:Monatshefte für Chemie 2014-09, Vol.145 (9), p.1395-1399
Hauptverfasser: Makrlík, Emanuel, Bureš, Michal, Vaňura, Petr, Asfari, Zouhair
Format: Artikel
Sprache:eng
Schlagworte:
Analytical Chemistry
Chemistry
Chemistry and Materials Science
Chemistry/Food Science
Inorganic Chemistry
Organic Chemistry
Original Paper
Physical Chemistry
Theoretical and Computational Chemistry
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Zusammenfassung:Extraction experiments in the two-phase water–nitrobenzene system and γ-activity measurements were used to determine the stability constant of the calix[4]arene-(1,2-phenylene-crown-6,crown-6)–Cs + complex dissolved in nitrobenzene saturated with water. Further, applying quantum-mechanical density functional theory (DFT) calculations, the most probable structures A and B of this cationic complex species, which are obviously in a dynamic equilibrium, were derived. Graphical Abstract
ISSN:0026-9247
1434-4475
DOI:10.1007/s00706-014-1200-2