論文

査読有り
2017年10月1日

Coherent singlet fission activated by symmetry breaking

Nature Chemistry
  • Kiyoshi Miyata
  • ,
  • Yuki Kurashige
  • ,
  • Kazuya Watanabe
  • ,
  • Toshiki Sugimoto
  • ,
  • Shota Takahashi
  • ,
  • Shunsuke Tanaka
  • ,
  • Jun Takeya
  • ,
  • Takeshi Yanai
  • ,
  • Yoshiyasu Matsumoto

9
10
開始ページ
983
終了ページ
989
記述言語
掲載種別
研究論文(学術雑誌)
DOI
10.1038/nchem.2784

© 2017 Macmillan Publishers Limited, part of Springer Nature. All rights reserved. Singlet fission, in which a singlet exciton is converted to two triplet excitons, is a process that could be beneficial in photovoltaic applications. A full understanding of the dynamics of singlet fission in molecular systems requires detailed knowledge of the relevant potential energy surfaces and their (conical) intersections. However, obtaining such information is a nontrivial task, particularly for molecular aggregates. Here we investigate singlet fission in rubrene crystals using transient absorption spectroscopy and state-of-the-art quantum chemical calculations. We observe a coherent and ultrafast singlet-fission channel as well as the well-known and conventional thermally assisted incoherent channel. This coherent channel is accessible because the conical intersection for singlet fission on the excited-state potential energy surface is located very close to the equilibrium position of the ground-state potential energy surface and also because of the excitation of an intermolecular symmetry-breaking mode, which activates the electronic coupling necessary for singlet fission.

Web of Science ® 被引用回数 : 106

リンク情報
DOI
https://doi.org/10.1038/nchem.2784
PubMed
https://www.ncbi.nlm.nih.gov/pubmed/28937675
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000411474800012&DestApp=WOS_CPL
Scopus
https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=85029762307&origin=inward
Scopus Citedby
https://www.scopus.com/inward/citedby.uri?partnerID=HzOxMe3b&scp=85029762307&origin=inward
ID情報
  • DOI : 10.1038/nchem.2784
  • ISSN : 1755-4330
  • eISSN : 1755-4349
  • PubMed ID : 28937675
  • SCOPUS ID : 85029762307
  • Web of Science ID : WOS:000411474800012

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