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A combined extraction and DFT study on the complexation of H3O+ with a hexaarylbenzene-based receptor
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SYSNO ASEP 0345779 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title A combined extraction and DFT study on the complexation of H3O+ with a hexaarylbenzene-based receptor Author(s) Toman, Petr (UMCH-V) RID, ORCID
Makrlík, E. (CZ)
Vaňura, P. (CZ)
Kašička, Václav (UOCHB-X) RID, ORCID
Rathore, R. (US)Source Title Monatshefte fur Chemie. - : Springer - ISSN 0026-9247
Roč. 141, č. 7 (2010), s. 737-741Number of pages 5 s. Language eng - English Country AT - Austria Keywords receptors ; macrocycles ; complexation Subject RIV CD - Macromolecular Chemistry R&D Projects GAP205/10/2280 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z40500505 - UMCH-V (2005-2011) AV0Z40550506 - UOCHB-X (2005-2011) UT WOS 000279698600003 DOI 10.1007/s00706-010-0313-5 Annotation 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. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2011
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