DFT Study of 1,4-Diazonium-3,6-diolates: Monocyclic Representatives of Unexplored Semi-Conjugated Heterocyclic Mesomeric Betaines.

It may be significant that the derivative 5h planar , which distorts to a non-planar form, has a π electron map ( Figure 2 ) that resembles the antiaromatic resonance form 5A ( Table 1 ) rather than the aromatic form 5C .

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