Number of the records: 1
Extraction and DFT study on the complexation of the cesium cation with a hexaarylbenzene-based receptor
- 1.
SYSNO ASEP 0348855 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Extraction and DFT study on the complexation of the cesium cation with a hexaarylbenzene-based receptor Author(s) Makrlík, E. (CZ)
Toman, Petr (UMCH-V) RID, ORCID
Vaňura, P. (CZ)
Selucký, P. (CZ)
Rathore, R. (US)Source Title Journal of Radioanalytical and Nuclear Chemistry. - : Springer - ISSN 0236-5731
Roč. 286, č. 1 (2010), s. 55-59Number of pages 5 s. Language eng - English Country HU - Hungary Keywords extraction ; cesium ; picrate 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) UT WOS 000282828000008 DOI 10.1007/s10967-010-0611-8 Annotation From extraction experiments and γ-activity measurements, the extraction constant corresponding to the equilibrium Cs+(aq) + A−(aq) + 1(nb) reversible arrow 1•Cs+(nb) + A− (nb) taking part in the two-phase water–nitrobenzene system (A− = picrate, 1 = hexaarylbenzene-based receptor; aq = aqueous phase, nb = nitrobenzene phase) was evaluated as log K ex (1•Cs+, A−) = 2.8. The stability constant of the complex 1•Cs+ in nitrobenzene saturated with water was calculated log β nb (1•Cs+) = 4.7. Using DFT calculations, the most probable structure of the 1•Cs+ complex species was found. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2011
Number of the records: 1