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- Title
Singlet Fission Driven by Excited‐State Intramolecular Proton Transfer (ESIPT+SF): A (TD)DFT Study.
- Authors
López‐Carballeira, Diego; Polcar, Tomáš
- Abstract
Singlet fission is a photophysical process able to generate two triplet excitons after the absorption of one high‐energy photon. Although this process is expected to boost the efficiency of photovoltaic cells, the instability of all known singlet fission materials hindered its implementation in any practical device. In order to overcome this limitation, we present a novel photophysical process that combines excited‐state intramolecular proton transfer and singlet fission (ESIPT+SF). Together with the suggested mechanism, this study provides a computational analysis identifying possible ESIPT+SF materials.
- Subjects
INTRAMOLECULAR proton transfer reactions; EFFICIENCY of photovoltaic cells; PROTONS
- Publication
ChemPhotoChem, 2023, Vol 7, Issue 7, p1
- ISSN
2367-0932
- Publication type
Article
- DOI
10.1002/cptc.202300017