Olefin epoxidation by dioxiranes and percarboxylic acids: an analysis of activation energies calculated by a density functional method

The activity of dioxiranes, R2CO2, and percarboxylic acids, RCO(O2)H, in olefin epoxidation reactions can be rationalized by a frontier orbital interaction. Barrier heights of these oxygen transfer reactions, as calculated by a density functional method, depend linearly on the energy of the olefin H...

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Veröffentlicht in:	Journal of physical organic chemistry 2001-06, Vol.14 (6), p.328-332
Hauptverfasser:	Gisdakis, Philip, Rösch, Notker
Format:	Artikel
Sprache:	eng
Schlagworte:	activation energies DFT calculations dioxirane olefin epoxidation percarboxylic acids
Online-Zugang:	Volltext
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