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Extraction and DFT study on the complexation of the cesium cation with dibenzo-21-crown-7
- 1.0361472 - ÚMCH 2012 RIV HU eng J - Journal Article
Makrlík, E. - Toman, Petr - Vaňura, P.
Extraction and DFT study on the complexation of the cesium cation with dibenzo-21-crown-7.
Journal of Radioanalytical and Nuclear Chemistry. Roč. 289, č. 3 (2011), s. 667-670. ISSN 0236-5731. E-ISSN 1588-2780
R&D Projects: GA ČR(CZ) GAP205/10/2280
Institutional research plan: CEZ:AV0Z40500505
Keywords : cesium dibenzo-21-crown-7 * nitrobenzene * stability constant
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 1.520, year: 2011
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.
Permanent Link: http://hdl.handle.net/11104/0006515
Number of the records: 1