Aromatic and Antiaromatic Pathways in Triphyrin(2.1.1) Annelated with Benzo[b]heterocycles

It is important to understand the aromatic properties and magnetically induced current densities of highly conjugated chromophores when one designs molecules with strongly delocalized electronic structure. The aromatic character can be modified by linearly extending the electron delocalization pathway of the triphyrin(2.1.1) skeleton with an annelated benzo[b]heterocycle fragment. Two-electron reduction of the extended triphyrin leads to an antiaromatic triphyrin(2.1.1) ring and an aromatic benzo[b]heterocycle subunit. Detailed information about the observed pathways and their strengths are obtained by performing current-density calculation.Peer reviewe