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

…, T Bally, R Pappas, F Williams

Index: Mueller, Beat; Bally, Thomas; Pappas, Robert; Williams, Ffrancon Journal of the American Chemical Society, 2010 , vol. 132, # 41 p. 14649 - 14660

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Citation Number: 11

Abstract

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 cation. In similar matrix studies, it is found that the isomeric dimethylenecyclopropane radical cation ...