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Controlling Rigidity and Planarity in Conjugated Polymers: Poly(3,4-ethylenedithioselenophene)


  • We thank Prof. Dmitrii F. Perepichka (McGill University) for helpful discussions. We thank the MINERVA Foundation and the Israel Science Foundation for financial support. M.B. is the incumbent of the Recanati career development chair, a member ad personam of the Lise Meitner-Minerva Center for Computational Quantum Chemistry, and acknowledges DuPont for a Young Professor′s Award.


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Staying on a plane: Even small substituents on the backbone of conjugated polymers can cause them to twist significantly, lowering conjugation and leading to wider band gaps. Oligo- and polyselenophenes are more rigid than their thiophene analogues, and can maintain their planarity and low band gap with substituents that otherwise cause considerable twisting. The picture shows two selenophene dimers; Se magenta, S yellow.