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Pathways for the Reaction of the Butadiene Radical Cation, [C 4 H 6 ] •+ , with Ethylene

✍ Scribed by Hofmann, Matthias; Schaefer, Henry F.


Book ID
125996191
Publisher
American Chemical Society
Year
1999
Tongue
English
Weight
200 KB
Volume
103
Category
Article
ISSN
1089-5639

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Reaction path calculations for the inter
✍ Chia-Chung Chen; Marye Anne Fox 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 409 KB 👁 1 views

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