0309317 - ÚOCHB 2009 RIV US eng J - Journal Article
Srnec, Martin - Ončák, Milan - Zahradník, Rudolf
Reaction mechanism of oxidation, hydroxylation, and epoxidation by hypofluorous acid: A theoretical study of unusual H-bond-assisted catalysis.
[Reakcní mechanismus oxidace, hydroxylace a epoxidace s kyselinou fluornou: Teoreticka studie neobvykle katalyzy rizenou vodikovou vazbou.]
Journal of Physical Chemistry A. Roč. 112, č. 6 (2008), s. 3631-3637. ISSN 1089-5639. E-ISSN 1520-5215
Institutional research plan: CEZ:AV0Z40550506; CEZ:AV0Z40400503
Keywords : hypofluorous acid * self-catalysis * Rozen oxidation
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 2.871, year: 2008

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.

Navrhli jsme jednoduchý, ale velmi ucinný reakční mechanismus oxidace (hydroxylace) rozličných organických látek pomocí fluorné kyseliny, která katalyzuje sebe samu. Jedna se o katalyzu reaktantem. Jako modelové molekuly, na kterých byl tento mechanismus studován, byly vybrány tyto skupiny: dvojná CC vazba v etylenu, síra a selenium v dimetylových derivátech, dusík a fosfor v trimetylových derivátech a azid.
Permanent Link: http://hdl.handle.net/11104/0004655