Litcius/Paper detail

S-Shaped Fused Azacorannulene Dimer: Structural and Redox Properties

Weifan Wang, Fiona Hanindita, Richard D. Webster, Shingo Ito

2022CCS Chemistry22 citationsDOIOpen Access PDF

Abstract

Because of their unique structural and chemical properties, buckybowl molecules have attracted considerable attention in a wide range of scientific disciplines. The importance and utility of buckybowl molecules significantly increases once they acquire larger π-surface area and/or heteroatoms. The fusion of buckybowl molecules has emerged as a new strategy to extend the π-surface of polycyclic aromatic compounds; however, the π-extension of heteroatom-embedded buckybowls by the fusion strategy is still rare. Here we report the synthesis and propeties of a fused azacorannulene dimer bearing a C62N2 core (1a), which can also be regarded as a double aza[5]helicene. Due to the steric repulsion between two azapentabenzocorannulene moieties, this molecule shows a rigid S-shaped structure where the two azacorannulene bowls face in opposite directions. Stepwise chemical oxidation of 1a resulted in the formation of the corresponding radical cation (1a +) and dication (1a2+), providing an important insight into their aromaticity. The fusion of heteroatom-embedded buckybowls provides a powerful way to synthesize π-extended polycyclic aromatic molecules.

Topics & Concepts

HeteroatomChemistryDimerBiological sciencesPolymer scienceNanotechnologyLibrary scienceComputer scienceRing (chemistry)Organic chemistryMaterials scienceBiologyComputational biologySynthesis and Properties of Aromatic CompoundsFullerene Chemistry and ApplicationsGraphene research and applications