Disentangling Direct Coupling from Charge-Transfer-Mediated Coupling in Singlet Fission of Weakly Interacting Dimers
In the authors' words
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Main result
Our findings support a primarily direct i-SF mechanism, facilitated by weak, yet direct excitonic coupling between singlet- and triplet-pair states, that decreases with increasing dihedral angle, while superexchange coupling via the dark CT states increases.
Appeared: Thursday, September 24. Journal of the American Chemical Society. Peer-reviewed journal.
DOI: 10.1021/jacs.6c11730