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Extraction and DFT study on the complexation of the cesium cation with a hexaarylbenzene-based receptor
- 1.0348855 - ÚMCH 2011 RIV HU eng J - Journal Article
Makrlík, E. - Toman, Petr - Vaňura, P. - Selucký, P. - Rathore, R.
Extraction and DFT study on the complexation of the cesium cation with a hexaarylbenzene-based receptor.
Journal of Radioanalytical and Nuclear Chemistry. Roč. 286, č. 1 (2010), s. 55-59. ISSN 0236-5731. E-ISSN 1588-2780
R&D Projects: GA ČR(CZ) GAP205/10/2280
Institutional research plan: CEZ:AV0Z40500505
Keywords : extraction * cesium * picrate
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 0.777, year: 2010
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.
Permanent Link: http://hdl.handle.net/11104/0006062
Number of the records: 1