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Reaction path calculations for the interaction of the ethylene radical cation with triplet oxygen
Authors:Chia-Chung Chen  Marye Anne Fox
Abstract:UMNDO reaction path calculations for trapping of the ethylene-cation radical with ground state oxygen suggest that formation of a dioxetane radical cation proceeds through the intermediacy of a peroxycation radical. The predicted enthalpy of activation (ΔH? = 13.8 kcal/mol) is consistent with rapid trapping of olefinic cation radicals by triplet oxygen at room temperature.
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