Počet záznamů: 1
Combined theoretical and experimental study of the complexation of a hexaarylbenzene-based receptor with the potassium cation
- 1.0385776 - ÚOCHB 2013 RIV US eng J - Článek v odborném periodiku
Ehala, Sille - Toman, Petr - Makrlík, E. - Rathore, R. - Kašička, Václav
Combined theoretical and experimental study of the complexation of a hexaarylbenzene-based receptor with the potassium cation.
Journal of Solution Chemistry. Roč. 41, č. 10 (2012), s. 1812-1824. ISSN 0095-9782. E-ISSN 1572-8927
Grant CEP: GA ČR(CZ) GA203/08/1428; GA ČR(CZ) GA203/09/0675; GA ČR(CZ) GAP205/10/2280
Grant ostatní: GA FŽP ČZU(CZ) 42900/1312/3114
Výzkumný záměr: CEZ:AV0Z40550506; CEZ:AV0Z40500505
Klíčová slova: density functional theory * affinity capillary electrophoresis * hexaarylbenzene derivatives
Kód oboru RIV: CB - Analytická chemie, separace
Impakt faktor: 1.128, rok: 2012
Non-covalent interactions of the hexaarylbenzene-based receptor (R) with potassium cation have been investigated. Employing quantum mechanical density functional theory (DFT) calculations, the most probable structure of the KR+ complex species was elucidated. The strength of the KR+ complex was evaluated experimentally by affinity capillary electrophoresis. From the dependence of the effective electrophoretic mobility of the receptor R on the concentration of potassium ion in the background electrolyte, the thermodynamic binding (stability, association) constant (KKR) of the KR+ complex in methanol was evaluated as log10 KKR = 3.20 +/- 0.22.
Trvalý link: http://hdl.handle.net/11104/0215407
Počet záznamů: 1