Počet záznamů: 1

Extraction and DFT study on the complexation of the cesium cation with a hexaarylbenzene-based receptor

  1. 1.
    0348855 - UMCH-V 2011 RIV HU eng J - Článek v odborném periodiku
    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
    Grant CEP: GA ČR(CZ) GAP205/10/2280
    Výzkumný záměr: CEZ:AV0Z40500505
    Klíčová slova: extraction * cesium * picrate
    Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
    Impakt faktor: 0.777, rok: 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.
    Trvalý link: http://hdl.handle.net/11104/0006062