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Issue 11, 2006
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Diels–Alder reaction of acenes with singlet and triplet oxygen – theoretical study of two-state reactivity

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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, 1Δg-O2, or triplet oxygen, 3Σg-O2).

Graphical abstract: Diels–Alder reaction of acenes with singlet and triplet oxygen – theoretical study of two-state reactivity

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Publication details

The article was received on 26 Sep 2005, accepted on 23 Jan 2006 and first published on 06 Feb 2006


Article type: Communication
DOI: 10.1039/B513597D
Citation: Chem. Commun., 2006,0, 1179-1181
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    Diels–Alder reaction of acenes with singlet and triplet oxygen – theoretical study of two-state reactivity

    A. R. Reddy and M. Bendikov, Chem. Commun., 2006, 0, 1179
    DOI: 10.1039/B513597D

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