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NMR and theoretical study of the cooperative interaction of hydrated proton with dibenzo-24-crown-8
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SYSNO ASEP 0312725 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title NMR and theoretical study of the cooperative interaction of hydrated proton with dibenzo-24-crown-8 Title NMR a teoretická studie kooperativní interakce hydratovaného protonu s dibenzo-24- crownem-8 Author(s) Kříž, Jaroslav (UMCH-V) RID
Dybal, Jiří (UMCH-V) RID, ORCID
Budka, J. (CZ)
Makrlík, E. (CZ)Source Title Magnetic Resonance in Chemistry. - : Wiley - ISSN 0749-1581
Roč. 46, č. 11 (2008), s. 1015-1024Number of pages 10 s. Language eng - English Country GB - United Kingdom Keywords dibenzo-24- crown-8 ; NMR exchange dynamics ; crown protonation ; DFT calculations Subject RIV CD - Macromolecular Chemistry R&D Projects 1ET400500402 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z40500505 - UMCH-V (2005-2011) UT WOS 000260512300004 DOI https://doi.org/10.1002/mrc.2306 Annotation Interaction of dibenzo-24- crown-8 with hydrated protons in nitrobenzene was studied by 1H and 13C NMR spectroscopy and relaxation methods under assistance of quantum DFT calculations. It was established that the most stable form of the complex contains the H5O2+ ion, which is in rapid exchange with excess protons under assistance of the present water molecules. The correlation time measured by an original pulse sequence DIFTRE of such exchange is about 0.8 ms. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2009
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