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Cooperative interaction of hydronium ion with an ethereally fenced hexaarylbenzene-based receptor: an NMR and theoretical study
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SYSNO ASEP 0342393 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Cooperative interaction of hydronium ion with an ethereally fenced hexaarylbenzene-based receptor: an NMR and theoretical study Author(s) Kříž, Jaroslav (UMCH-V) RID
Toman, Petr (UMCH-V) RID, ORCID
Makrlík, E. (CZ)
Budka, J. (CZ)
Shukla, R. (US)
Rathore, R. (US)Source Title Journal of Physical Chemistry A. - : American Chemical Society - ISSN 1089-5639
Roč. 114, č. 16 (2010), s. 5327-5334Number of pages 8 s. Language eng - English Country US - United States Keywords aromatic proton receptor ; hydronium ions ; complex exchange dynamics Subject RIV CD - Macromolecular Chemistry R&D Projects GA203/09/1478 GA ČR - Czech Science Foundation (CSF) CEZ AV0Z40500505 - UMCH-V (2005-2011) UT WOS 000276888800013 DOI 10.1021/jp101080h Annotation Using 1H and 13C NMR and DFT calculations, the structure and interactions of the symmetric ethereally fenced hexaarylbenzene receptor 1 with hydronium ions were studied. Both 1 and its equimolecular complex 1. H3O+ exhibit C3v symmetry. The binding constant is .eta. = 6.3, according to both proton and carbon NMR spectra. The correlation time of exchange of H3O+ was found to be 4.76 x 10-5 s. Such relatively fast exchange can be explained only by it being mediated by the excess water molecules present in the system. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2011
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