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Epoxidation of Alkenes by Peroxyl Radicals in the Gas Phase: Structure Activity Relationships

M S Stark

Department of Chemistry, University of York, York, YO1 5DD, United Kingdom


Journal of Physical Chemistry, 1997 , Vol 101, pp8296-8301

© American Chemical Society, Journal of Physical Chemistry, 1997


Abstract

The epoxidation of alkenes by peroxyl radicals in the gas phase is examined and it is demonstrated that the activation energies for 36 epoxidation reactions between 17 alkenes and 5 peroxyl radicals correlate well to the charge transfer, or the corresponding energy decrease, in forming the peroxyalkyl adduct, or the difference between the ionisation energy of the alkene and the electron affinity of the peroxyl radical. These correlations have been used to estimate five previously unmeasured epoxidation rate constants relevant to propene autoxidation.



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