Singlet fission, the conversion of a singlet excitation to two triplet excitations, could be useful for boosting solar energy efficiency. It is known to proceed efficiently in only a handful of solids, mostly polyacenes and their simple derivatives. We describe the use of quantum chemical methods for the design of new promising classes of organic solids based on captodative biradicaloids and report their synthesis and testing.

New structures for singlet fission

251st National Meeting (2016)

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