Departamento de Quìmica Orgánica, Facultad de Química, Universidade de Vigo, Lagoas Marcosende, 36310, Vigo, Galicia (Spain), Fax: (+34)?986‐811940
Abstract:
Competition : The electrocyclizations of 1‐ and 3‐hydroxyheptatrienyl cations (see scheme) have been computationally studied at the B3LYP/6‐311G(d) level. The 1‐hydroxy system clearly favors a 4e? over a 6e? process, while for the 3‐hydroxy isomer these mechanisms compete.
