期刊
NATURE MATERIALS
卷 18, 期 10, 页码 1084-+出版社
NATURE PUBLISHING GROUP
DOI: 10.1038/s41563-019-0465-6
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资金
- Japan Science and Technology Agency, ERATO, Adachi Molecular Exciton Engineering Project, under JST ERATO [JPMJER1305]
- Japan Society for the Promotion of Science KAKENHI [JP17J04907, JP18H02047, JP18H03902]
- Department of Energy [DE-EE0008205]
- Kyulux
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.
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