Curved π-conjugated corannulene dimer diradicaloids.

ABSTRACT: So far, most reported open-shell singlet diradicaloids are based on planar π-conjugated molecules. Herein, we report the bridged corannulene dimer diradicaloids, Cor-D1 and Cor-D2, both showing a three-dimensional curved π-conjugated structure. Cor-D1 has a small diradical character (y₀ = 5.4%) and behaves more like a closed-shell quinoidal compound at room temperature, while Cor-D2 is a typical open-shell diradicaloid with a larger diradical character (y₀ = 16.9%). Both compounds exhibited paramagnetic activity at elevated temperatures, with a singlet-triplet energy gap (ΔE_S-T) of -8.4 and -3.0 kcal mol^-1, respectively. X-ray crystallographic analysis revealed that both molecules have a dumbbell-s

SUBMITTER: Wang Q 

PROVIDER: S-EPMC5994875 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature