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    Université de Fribourg

    Spectroscopic and computational studies on the rearrangement of ionized [1.1.1]propellane and some of its valence isomers: the key role of vibronic coupling

    Müller, Beat ; Bally, Thomas ; Pappas, Robert ; Williams, Ffrancon

    In: Journal of the American Chemical Society, 2010, vol. 132, no. 41, p. 14649–14660

    The [1.1.1]propellane radical cation 1•+, generated by radiolytic oxidation of the parent compound in argon and Freon matrices at low temperatures, undergoes a spontaneous rearrangement to form the distonic 1,1-dimethyleneallene (or 2-vinylideneallyl) radical cation 3•+ consisting of an allyl radical substituted at the 2-position by a vinyl...