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

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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Author(s)

  • Hiroki Noda
  • Hajime Nakanotani
  • Takuya Hosokai
  • Momoka Miyajima
  • Naoto Notsuka
  • Yuuki Kashima
  • Jean-Luc Brédas
  • Chihaya Adachi

Detail(s)

Original languageEnglish
Pages (from-to)1084-1090
Journal / PublicationNature Materials
Volume18
Issue number10
Online published2 Sept 2019
Publication statusPublished - Oct 2019
Externally publishedYes

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.

Citation Format(s)

Critical role of intermediate electronic states for spin-flip processes in charge-transfer-type organic molecules with multiple donors and acceptors. / Noda, Hiroki; Chen, Xian-Kai; Nakanotani, Hajime et al.
In: Nature Materials, Vol. 18, No. 10, 10.2019, p. 1084-1090.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review