Abstract

A negligible antiaromatic destabilization is found in planar D4h 1,3,5,7-cyclooctatetraene with alternating bond lengths. The same is also true for the delocalized D8h structure, which has a stabilization energy of only 3-4 kcal mol-1 . According to quantum-chemical calculations, the ground state of 1 is expected to be the planar C2v -symmetric (1,1) singlet diradical 1'.

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