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A Marcus-Hush Perspective on Adiabatic Singlet Fission

preprint
submitted on 24.04.2019, 21:50 and posted on 25.04.2019, 19:55 by Timothy Schmidt
Singlet fission is a process whereby a bichromophoric system crosses from an excitonically coupled singlet state to a singlet-coupled triplet pair state. If the electronic structure is described locally, then the process may be described by a formal exchange of electrons. As such, it lends itself to a treatment rooted in the Marcus-Hush description of electron transfer. Here we use ab initio and density functional electronic structure theories to reveal a Marcus-Hush perspective on singlet fission and propose experiments to probe singlet fission in the spirit of photo-induced electron transfer.

Funding

ARC Centre of Excellence in Exciton Science

Australian Research Council

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History

Email Address of Submitting Author

timothy.schmidt@unsw.edu.au

Institution

UNSW Sydney

Country

Australia

ORCID For Submitting Author

0000-0001-6691-1438

Declaration of Conflict of Interest

No

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