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- W3012681750 abstract "Polycyclic aromatic hydrocarbons (PAHs) play an important role in chemistry both in the terrestrial setting and in the interstellar medium. Various, albeit often inefficient, chemical mechanisms have been proposed to explain PAH formation, but few yield polycyclic hydrocarbons cleanly. Alternative and quite promising pathways have been suggested to address these shortcomings with key starting reactants including resonance stabilized radicals (RSRs) and o-benzyne. Here we report on a combined experimental and theoretical study of the reaction allyl + o-benzyne. Indene was found to be the primary product and statistical modeling predicts only 0.1% phenylallene and 0.1% 3-phenyl-1-propyne as side products. The quantitative and likely barrierless formation of indene yields important insights into the role resonance stabilized radicals play in the formation of polycyclic hydrocarbons." @default.
- W3012681750 created "2020-03-27" @default.
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- W3012681750 date "2020-03-23" @default.
- W3012681750 modified "2023-10-16" @default.
- W3012681750 title "Off the Beaten Path: Almost Clean Formation of Indene from the <i>ortho</i>-Benzyne + Allyl Reaction" @default.
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- W3012681750 doi "https://doi.org/10.1021/acs.jpclett.0c00374" @default.
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