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Designs of Singlet Fission Chromophores with a Diazadiaborine Framework

preprint
submitted on 22.04.2020 and posted on 23.04.2020 by Ekadashi Pradhan, Jordan N. Bentley, Christopher B. Caputo, Tao Zeng
This is a computational chemistry study in designing singlet fission chromophores based on a diazadiborine framework. Substitutions and additions are proposed to enhance diradical character of the diazadiborine so that the designed molecules satisfy the two energy criteria for singlet fission. Synthesizability of the designed molecules is discussed.

Funding

Natural Sciences and Engineering Research Council of Canada (NSERC)

Natural Sciences and Engineering Research Council

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Canada Foundation for Innovation (CFI)

York University

History

Email Address of Submitting Author

tzeng@yorku.ca

Institution

York University

Country

Canada

ORCID For Submitting Author

0000-0002-1553-7850

Declaration of Conflict of Interest

Not applicable

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