Benzo-Extended Cyclohepta[def]fluorene Derivatives with Very Low-Lying Triplet States.

ABSTRACT: Open-shell non-alternant polycyclic hydrocarbons (PHs) are attracting increasing attention due to their promising applications in organic spintronics and quantum computing. Herein we report the synthesis of three cyclohepta[def]fluorene-based diradicaloids (1-3), by fusion of benzo rings on its periphery for the thermodynamic stabilization, as evidenced by multiple characterization techniques. Remarkably, all of them display a very narrow optical energy gap (E_g ^opt =0.52-0.69 eV) and persistent stability under ambient conditions (t_1/2 =11.7-33.3 h). More importantly, this new type of diradicaloids possess a low-lying triplet state with an extremely small singlet-triplet energy gap, as low as 0.002 kcal mol^-1 , with a clear dependence on the molec

SUBMITTER: Wu F 

PROVIDER: S-EPMC9324097 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature