Helical polycyclic hydrocarbons with open-shell singlet ground states and ambipolar redox behaviors.

ABSTRACT: Organic π-conjugated polycyclic hydrocarbons (PHs) with an open-shell diradical character are attracting increasing interest due to their promising applications in organic electronics and spintronics. However, most of the open-shell PHs synthesized thus far are based on planar π-conjugated molecules. Herein, we report the synthesis and characterization of two new quinodimethane-embedded expanded helicenes H1 and H2. The helical structures of both molecules were revealed using X-ray crystallographic analysis. It was elucidated in detailed experimental and theoretical studies that they possess an open-shell singlet biradical structure in the ground state and show a small energy gap and amphoteric redox behavior. Both compounds can also be easily oxidized or reduced into relatively stable cha

SUBMITTER: Jiang Q 

PROVIDER: S-EPMC11234857 | biostudies-literature | 2024 Jul

REPOSITORIES: biostudies-literature