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Reaction path calculations for the interaction of the ethylene radical cation with triplet oxygen

✍ Scribed by Chia-Chung Chen; Marye Anne Fox

Publisher: John Wiley and Sons
Year: 1983
Tongue: English
Weight: 409 KB
Volume: 4
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540040406

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✦ Synopsis

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 (A€€% = 13.8 kcal/mol) is consistent with rapid trapping of olefinic cation radicals by triplet oxygen at room temperature.

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