抄録
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.
本文言語 | 英語 |
---|---|
ページ(範囲) | 1084-1090 |
ページ数 | 7 |
ジャーナル | Nature Materials |
巻 | 18 |
号 | 10 |
DOI | |
出版ステータス | 出版済み - 10月 1 2019 |
!!!All Science Journal Classification (ASJC) codes
- 化学 (全般)
- 材料科学(全般)
- 凝縮系物理学
- 材料力学
- 機械工学