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Affinity capillary electrophoresis and density functional theory applied to binding constant determination and structure elucidation of hexaarylbenzene-based receptor complex with ammonium cation
- 1.0364819 - ÚOCHB 2012 RIV NL eng J - Journal Article
Ehala, Sille - Toman, Petr - Makrlík, E. - Rathore, R. - Kašička, Václav
Affinity capillary electrophoresis and density functional theory applied to binding constant determination and structure elucidation of hexaarylbenzene-based receptor complex with ammonium cation.
Journal of Chromatography A. Roč. 1218, č. 30 (2011), s. 4982-4987. ISSN 0021-9673. E-ISSN 1873-3778
R&D Projects: GA ČR(CZ) GA203/08/1428; GA ČR(CZ) GA203/09/0675; GA AV ČR 1ET400500402
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40500505
Keywords : affinity capillary electrophoresis * density functional theory * hexaarylbenzene derivatives
Subject RIV: CB - Analytical Chemistry, Separation
Impact factor: 4.531, year: 2011
Affinity capillary electrophoresis (ACE) and quantum mechanical density functional theory (DFT) calculations have been employed for the investigation of noncovalent interactions between hexaarylbenzene-based receptor (R) and ammonium cation NH4+. By means of ACE, the binding constant of the NH4R+ complex in methanol was estimated whereas the structural characteristics of NH4R+ complex were determined by DFT calculations.
Permanent Link: http://hdl.handle.net/11104/0200200
Number of the records: 1