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Critical role of intermediate electronic states for spin-flip processes in charge-transfer-type organic molecules with multiple donors and acceptors.
- Source :
-
Nature materials [Nat Mater] 2019 Oct; Vol. 18 (10), pp. 1084-1090. Date of Electronic Publication: 2019 Sep 02. - Publication Year :
- 2019
-
Abstract
- Spin-flip in purely organic molecular systems is often described as a forbidden process; however, it is commonly observed and utilized to harvest triplet excitons in a wide variety of organic material-based applications. Although the initial and final electronic states of spin-flip between the lowest singlet and lowest triplet excited state are self-evident, the exact process and the role of intermediate states through which spin-flip occurs are still far from being comprehensively determined. Here, via experimental photo-physical investigations in solution combined with first-principles quantum-mechanical calculations, we show that efficient spin-flip in multiple donor-acceptor charge-transfer-type organic molecular systems involves the critical role of an intermediate triplet excited state that corresponds to a partial molecular structure of the system. Our proposed mechanism unifies the understanding of the intersystem crossing mechanism in a wide variety of charge-transfer-type molecular systems, opening the way to greater control over spin-flip rates.
Details
- Language :
- English
- ISSN :
- 1476-4660
- Volume :
- 18
- Issue :
- 10
- Database :
- MEDLINE
- Journal :
- Nature materials
- Publication Type :
- Academic Journal
- Accession number :
- 31477903
- Full Text :
- https://doi.org/10.1038/s41563-019-0465-6