Počet záznamů: 1

Theoretical study on the complexation of the sodium cation with a hexaarylbenzene-based receptor

  1. 1.
    0350519 - UMCH-V 2011 RIV AT eng J - Článek v odborném periodiku
    Toman, Petr - Makrlík, E. - Vaňura, P. - Kašička, Václav - Rathore, R.
    Theoretical study on the complexation of the sodium cation with a hexaarylbenzene-based receptor.
    Monatshefte fur Chemie. Roč. 141, č. 12 (2010), s. 1309-1311 ISSN 0026-9247
    Grant CEP: GA ČR(CZ) GAP205/10/2280
    Výzkumný záměr: CEZ:AV0Z40500505; CEZ:AV0Z40550506
    Klíčová slova: receptors * macrocycles * compexation
    Kód oboru RIV: BM - Fyzika pevných látek a magnetismus
    Impakt faktor: 1.356, rok: 2010

    By means of quantum chemical DFT calculations, the complex structure of a hexaarylbenzene-based receptor with Na+ was derived. In the resulting complex having C3 symmetry, the sodium cation synergistically interacts with the hydrophilic polar ethereal oxygen fence and with the central hydrophobic benzene bottom of the parent receptor via cation–.pi. interaction.
    Trvalý link: http://hdl.handle.net/11104/0006137