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A combined extraction and DFT study on the complexation of H3O+ with a hexaarylbenzene-based receptor
- 1.0345779 - ÚMCH 2011 RIV AT eng J - Journal Article
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. E-ISSN 1434-4475
R&D Projects: GA ČR(CZ) GAP205/10/2280
Institutional research plan: CEZ:AV0Z40500505; CEZ:AV0Z40550506
Keywords : receptors * macrocycles * complexation
Subject RIV: CD - Macromolecular Chemistry
Impact factor: 1.356, year: 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.
Permanent Link: http://hdl.handle.net/11104/0005959
Number of the records: 1