Structural dynamics of singlet fission in pentacene single crystals
- PC Online Talk
- Date: Oct 1, 2020
- Time: 11:00 AM (Local Time Germany)
- Speaker: Dr. Hélène Seiler
- FHI Department PC

Our data reveal the presence of coherent atomic motions at 1 THz, incoherent motions, as well as a long-lived structural distortion (> 1 ns). Molecular dynamics simulations allow us to attribute the coherent motions to collective intermolecular motions involving several molecules. These motions transiently modify the excitonic coupling between different molecules by moving entire molecules against each other. Our findings imply that both long-range coherent and incoherent vibrational dynamics participate in the singlet fission process in pentacene on the picosecond timescale by facilitating the destruction of the electronically correlated triplet pairs.
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