Dual Fluorescence of Octatetraene Hints at a Novel Type of Singlet-to-Singlet Thermally Activated Delayed Fluorescence Process
Source abstract
Abstract
A novel type of singlet-to-singlet thermally activated delayed fluorescence (STS-TADF) from the optically bright 1 1 B u + and dark 2 1 A g – 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 (2 1 A g – ). 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 π-conjugated chromophores as well.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Photochemistry and Electron Transfer Studies · Advanced Chemical Physics Studies · Molecular Junctions and Nanostructures
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Department of Chemistry, Kyungpook National University, Daegu 702-701, South Korea
Department of Chemistry, Michigan State University, East Lansing, Michigan 48824, United States
Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, United States
Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824, United States
Department of Chemistry, Pohang University of Science and Technology (POSTECH), Pohang 37673, South Korea
Funding
Basic Energy Sciences · Samsung Science and Technology Foundation · National Research Foundation of Korea · Ministry of Oceans and Fisheries
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