Probing Triplet Excited States and Managing Blue Light Emission of Neutral Tetradentate Platinum(II) Complexes

Cong You, Fang Xia, Yue Zhao, Yin Zhang, Yongjian Sheng, Yipei Wu, Xiao Chun Hang, Fei Chen, Huili Ma, Kang Shen, Zhengyi Sun, Takahiro Ueba, Satoshi Kera, Cong Zhang, Honghai Zhang, Zhi Kuan Chen, Wei Huang

Research output: Journal PublicationArticlepeer-review

31 Citations (Scopus)


The structural and photophysical properties of tetradentate Pt(ppzOppz), Pt(ppzOpopy), Pt(ppzOczpy), and Pt(czpyOczpy) have been experimentally and theoretically explored. Single-crystal diffraction measurements provided accurate structural information. Electrochemical and photophysical characterizations revealed internal electronic energy levels in ground and excited states. (Time-dependent) Density functional theory calculation revealed electron distributions in transition processes of S0 → S1 and S1 → T1 → S0. Electronic transition study indicated that Pt(ppzOppz) demonstrated mixed MLCT/LC states and Pt(czpyOczpy) showed MLCT-dominated states in S1 and T1. Both Pt(ppzOpopy) and Pt(ppzOczpy) presented strong delocalized spin transition (DST) during intersystem crossing. Upon frame modification of Pt(ppzOczpy), we found that their S1 and T1 can be independently manipulated. These blue emitters showed a tunable and narrow emission band (the narrowest fwhm was 19 nm) with luminescence efficiency as high as 86%. The findings of the DST transition mode in the neutral Pt(II) complexes provide guidance for rational design of novel phosphorescent materials.

Original languageEnglish
Pages (from-to)2285-2292
Number of pages8
JournalJournal of Physical Chemistry Letters
Issue number9
Publication statusPublished - 3 May 2018

ASJC Scopus subject areas

  • Materials Science (all)
  • Physical and Theoretical Chemistry


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