Critical role of intermediate electronic states for spin-flip processes in charge-transfer-type organic molecules with multiple donors and acceptors

Hiroki Noda, Xian Kai Chen, Hajime Nakanotani, Takuya Hosokai, Momoka Miyajima, Naoto Notsuka, Yuuki Kashima, Jean Luc Brédas, Chihaya Adachi

研究成果: ジャーナルへの寄稿学術誌査読

254 被引用数 (Scopus)

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
18
10
DOI
出版ステータス出版済み - 10月 1 2019

!!!All Science Journal Classification (ASJC) codes

  • 化学一般
  • 材料科学一般
  • 凝縮系物理学
  • 材料力学
  • 機械工学

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