Počet záznamů: 1

A combined extraction and DFT study on the complexation of H3O+ with a hexaarylbenzene-based receptor

  1. 1.
    0345779 - UMCH-V 2011 RIV AT eng J - Článek v odborném periodiku
    Toman, Petr - Makrlík, E. - Vaňura, P. - Kašička, Václav - Rathore, R.
    A combined extraction and DFT study on the complexation of H3O+ with a hexaarylbenzene-based receptor.
    Monatshefte fur Chemie. Roč. 141, č. 7 (2010), s. 737-741 ISSN 0026-9247
    Grant CEP: GA ČR(CZ) GAP205/10/2280
    Výzkumný záměr: CEZ:AV0Z40500505; CEZ:AV0Z40550506
    Klíčová slova: receptors * macrocycles * complexation
    Kód oboru RIV: CD - Makromolekulární chemie
    Impakt faktor: 1.356, rok: 2010

    From extraction experiments in the two-phase water/nitrobenzene system and .gamma.-activity measurements, the stability constant of the complex of a hexaarylbenzene-based receptor and H3O+ dissolved in nitrobenzene saturated with water was determined. By using quantum-mechanical density functional level of theory (DFT) calculations, the most probable structures of this complex were derived.
    Trvalý link: http://hdl.handle.net/11104/0005959