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Interaction of hydrated protons with octyl-phenyl-N,N-diisobutylcarbamoylmethyl phosphine oxide (CMPO): NMR and theoretical study
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SYSNO ASEP 0363834 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Interaction of hydrated protons with octyl-phenyl-N,N-diisobutylcarbamoylmethyl phosphine oxide (CMPO): NMR and theoretical study Author(s) Kříž, Jaroslav (UMCH-V) RID
Dybal, Jiří (UMCH-V) RID, ORCID
Makrlík, E. (CZ)
Vaňura, P. (CZ)Source Title Magnetic Resonance in Chemistry. - : Wiley - ISSN 0749-1581
Roč. 49, č. 10 (2011), s. 617-626Number of pages 10 s. Language eng - English Country GB - United Kingdom Keywords CMPO ; protonization ; dynamic NMR 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 000295356000001 DOI 10.1002/mrc.2774 Annotation Interaction of hydronium ions with CMPO was studied in acetonitrile-d3 using 1H, 13C, 31P NMR, PFG NMR and magnetic relaxation. Two complexes with one and two molecules of CMPO per one H3O+ were found to be formed. The dynamics of their exchange was measured by relaxation. The experimental results were confronted with high-precision ab initio DFT calculations. Workplace Institute of Macromolecular Chemistry Contact Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358 Year of Publishing 2012
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