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Reaction mechanism of oxidation, hydroxylation, and epoxidation by hypofluorous acid: A theoretical study of unusual H-bond-assisted catalysis
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SYSNO ASEP 0309317 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Reaction mechanism of oxidation, hydroxylation, and epoxidation by hypofluorous acid: A theoretical study of unusual H-bond-assisted catalysis Title Reakcní mechanismus oxidace, hydroxylace a epoxidace s kyselinou fluornou: Teoreticka studie neobvykle katalyzy rizenou vodikovou vazbou Author(s) Srnec, Martin (UOCHB-X) RID
Ončák, Milan (UFCH-W) ORCID, RID
Zahradník, Rudolf (UFCH-W)Source Title Journal of Physical Chemistry A. - : American Chemical Society - ISSN 1089-5639
Roč. 112, č. 6 (2008), s. 3631-3637Number of pages 7 s. Language eng - English Country US - United States Keywords hypofluorous acid ; self-catalysis ; Rozen oxidation Subject RIV CF - Physical ; Theoretical Chemistry CEZ AV0Z40550506 - UOCHB-X (2005-2011) AV0Z40400503 - UFCH-W (2005-2011) UT WOS 000255104800016 DOI https://doi.org/10.1021/jp711676m Annotation We have suggested a simple but very effective reaction mechanism of the oxidation (hydroxylation) of various organic compounds by self-catalyzed hypoflourous acid. An entire set of model molecules was selected for quantum chemical investigation of the oxidation mechanism: a C=C double bond in ethylene, sulfur and selenium in dimethyl derivatives, nitrogen and phosphorus in trimethyl derivatives, as well as methyl azides. Workplace Institute of Organic Chemistry and Biochemistry Contact asep@uochb.cas.cz ; Kateřina Šperková, Tel.: 232 002 584 ; Jana Procházková, Tel.: 220 183 418 Year of Publishing 2009
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