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Ground States of Molecules. XXX. MINDO/3 Study of Reactions of Singlet (1Δg) Oxygen with Carbon-Carbon Double Bonds

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Citation

Dewar, M. J. S., & Thiel, W. (1975). Ground States of Molecules. XXX. MINDO/3 Study of Reactions of Singlet (1Δg) Oxygen with Carbon-Carbon Double Bonds. Journal of the American Chemical Society, 97(14), 3978-3986. doi:10.1021/ja00847a018.


Cite as: http://hdl.handle.net/11858/00-001M-0000-0029-1862-4
Abstract
The reactions of singlet (1Δg) oxygen with carbon-carbon double bonds have been studied using MINDO/3. The compounds examined were ethylene, propene, vinylamine, and 2,3-dihydropyran. The reactions are predicted to take place in steps via peroxirane or zwitterionic intermediates. The results are consistent with the available experimental evidence.