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A combined experimental and theoretical study on the complexation of Ag+ with a hexaarylbenzene-based receptor
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SYSNO ASEP 0363239 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title A combined experimental and theoretical study on the complexation of Ag+ with a hexaarylbenzene-based receptor Author(s) Makrlík, E. (CZ)
Toman, Petr (UMCH-V) RID, ORCID
Vaňura, P. (CZ)
Kašička, Václav (UOCHB-X) RID, ORCID
Rathore, R. (US)Source Title Journal of Solution Chemistry. - : Springer - ISSN 0095-9782
Roč. 40, č. 8 (2011), s. 1418-1426Number of pages 9 s. Language eng - English Country US - United States Keywords hexaarylbenzene-based receptor ; silver cation ; complexation Subject RIV BM - Solid Matter Physics ; Magnetism R&D Projects GAP205/10/2280 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z40500505 - UMCH-V (2005-2011) AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000294354400004 DOI 10.1007/s10953-011-9727-x Annotation From extraction experiments and γ -activity measurements, the exchange extraction constant corresponding to the equilibrium Ag+(aq) + 1.Cs+(nb) reversible arrow 1.Ag+(nb) + Cs+(aq) taking part in the two-phase water–nitrobenzene system (where 1 = hexaarylbenzene-based receptor; aq = aqueous phase, nb = nitrobenzene phase) was evaluated to be log10 Kex(Ag+, 1.Cs+)=−1.0±0.1. Further, the stability constant of the hexaarylbenzenebased receptor.Ag+ complex (abbreviation 1.Ag+) in nitrobenzene saturated with water, was calculated at a temperature of 25 °C: log10 βnb(1.Ag+) = 5.5 ± 0.2. By using quantum mechanical DFT calculations, the most probable structure of the 1.Ag+ complex species was solved. In this complex having C3 symmetry, the cation Ag+ synergistically interacts with the polar ethereal oxygen fence and with the central hydrophobic benzene ring via cation–.pi. interaction. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2012
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