Diels-Alder reaction of acenes with singlet and triplet oxygen -- theoretical study of two-state reactivity |
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| Authors: | Reddy A Ravikumar Bendikov Michael |
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| Affiliation: | Department of Organic Chemistry, Weizmann Institute of Science, 76100 Rehovot, Israel. |
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| Abstract: | An interesting change in mechanism (from concerted to biradical) is described for the reaction of acenes (benzene through pentacene) with molecular oxygen (either singlet oxygen, 1Deltag-O2, or triplet oxygen, 3Sigmag-O2). |
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