Počet záznamů: 1
Theoretical study on the complexation of the sodium cation with a hexaarylbenzene-based receptor
- 1.0350519 - ÚMCH 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. E-ISSN 1434-4475
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
Počet záznamů: 1