1/7-Azepines theoretical studies

The formation of conducting poly-1,2-azepines suggests that the charged species formed are stabilized by conjugation or even aromaticity. The species to be expected are radical cations and dications of azepines. Delocalization of these species and 6-tc electron aromaticity of the dications is evident both from theoretical studies and from experlments ) However, extended conjugation is excluded owing to steric hindrance between individual azepines (similar to ortho-substituted phenyls). Hence a moderate conductivity is expected and found. In order to increase the conductivity from poly-azepines, it seems necessary to synthesize 1,4-azepines. However, no design for such a synthesis is available at this time. 

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