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Extraction and DFT study on the complexation of the cesium cation with dibenzo-21-crown-7
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SYSNO ASEP 0361472 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 dibenzo-21-crown-7 Author(s) Makrlík, E. (CZ)
Toman, Petr (UMCH-V) RID, ORCID
Vaňura, P. (CZ)Source Title Journal of Radioanalytical and Nuclear Chemistry. - : Springer - ISSN 0236-5731
Roč. 289, č. 3 (2011), s. 667-670Number of pages 4 s. Language eng - English Country HU - Hungary Keywords cesium dibenzo-21-crown-7 ; nitrobenzene ; stability constant 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 000293029200003 DOI 10.1007/s10967-011-1123-x Annotation From extraction experiments and γ-activity measurements, the extraction constant corresponding to the equilibrium of cesium cation and picrate in the two-phase water-nitrobenzene system was evaluated as 4.4. Further, the stability constant of the studied complex in nitrobenzene saturated with water was calculated for a temperature of 25 °C: log beta = 6.3. Finally, by using quantum mechanical DFT calculations, the most probable structure of the resulting cationic complex species was solved. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2012
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