Kinetics and Catalysis

, Volume 50, Issue 4, pp 540–542 | Cite as

Dioxetane formation in the phenol-inhibited oxidation of hydrocarbons

  • R. F. Vasil’evEmail author
  • A. V. Trofimov


The structures and energies of possible products of the reaction between the phenoxy radical OAr and dioxygen are calculated using the PM6 semiempirical method. The possible adducts are the peroxyl radical OArOO and dioxetane radicals. The latter are the cyclization products resulting from the addition of the terminal atom of OArOO to a carbon atom of the Ar ring. This reaction is nearly thermoneutral and is, therefore, likely.


Ferulic Acid Dioxygen Phenoxyl Liquid Phase Oxidation Phenoxyl Radical 
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Copyright information

© Pleiades Publishing, Ltd. 2009

Authors and Affiliations

  1. 1.Emanuel Institute of Biochemical PhysicsRussian Academy of SciencesMoscowRussia

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