Quinonoid elements in π-conjugated oligomers and polymers have promising characteristics by providing unique structures and electronic properties, including varying degrees of ground state open shell diradical character and small band gaps. So far quinonoid ground state polymers were rarely identified, and one of the goals of this work was to expand the portfolio of such systems. The dependency of the diradical character as a function of size and composition opens a rich space to discover trends affecting the aromaticity and diradical character. Herein we show that diradical character is a useful parameter to classify a wide variety of polymers and alternating AB copolymers. We found a correlation between the diradical character and the interring C-C distance as well as the singlet-triplet energy gaps.

Integrating quinonoid units in π-conjugated polymers and their diradical characters

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