Dual Fluorescence of Octatetraene Hints at a Novel Type of Singlet-to-Singlet Thermally Activated Delayed Fluorescence Process
SCIE
SCOPUS
- Title
- Dual Fluorescence of Octatetraene Hints at a Novel Type of Singlet-to-Singlet Thermally Activated Delayed Fluorescence Process
- Authors
- Park, Woojin; Shen, Jun; Lee, Seunghoon; Piecuch, Piotr; Joo, Taiha; Filatov(gulak), Michael; Choi, Cheol Ho
- Date Issued
- 2022-01
- Publisher
- American Chemical Society
- Abstract
- © Author(s)A novel type of singlet-to-singlet thermally activated delayed fluorescence (STS-TADF) from the optically bright 11Bu+ and dark 21Ag- states of octatetraene is proposed based on state-of-the-art ab initio simulations. The new phenomenon bears similarity with TADF, the key difference being that in the normal TADF the emissive state is repopulated from a nearby triplet, whereas in STS-TADF it occurs from a nearby dark singlet state (21Ag-). The nonadiabatic populations of the bright and dark singlet excited states are dynamically redistributed through a conical intersection mediated by an ultrafast skeleton C-C stretching vibration, establishing a steady state for a sufficiently long time to undergo radiative decay. The steady state manifests itself in the experimentally observed dual fluorescence. It is expected that the STS-TADF can be observed in other-conjugated chromophores as well.
- URI
- https://oasis.postech.ac.kr/handle/2014.oak/116663
- DOI
- 10.1021/acs.jpcc.2c04105
- ISSN
- 1932-7447
- Article Type
- Article
- Citation
- Journal of Physical Chemistry C, vol. 126, no. 35, page. 14976 - 14985, 2022-01
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