Abstract
AbstractIn this work, the isomerization mechanisms of dehydrofulvene radicals to the phenyl radical are described. This study shows, for 6‐dehydrofulvene, a low‐energy isomerization path going through a resonantly stabilized bicyclic system. In a second part, the different established mechanisms are applied to the closing of a second and third aromatic ring. This application highlights the possibility of forming new products, such as 2‐naphthyl radical, and the effect of aromatic cycles on the new mechanisms. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2011
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