Multiple resonance type thermally activated delayed fluorescence by dibenzo [1,4] azaborine derivatives

Jaehyun Bae, Mika Sakai, Youichi Tsuchiya, Naoki Ando, Xian Kai Chen, Thanh Ba Nguyen, Chin Yiu Chan, Yi Ting Lee, Morgan Auffray, Hajime Nakanotani, Shigehiro Yamaguchi, Chihaya Adachi

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3 Citations (Scopus)


We studied the photophysical and electroluminescent (EL) characteristics of a series of azaborine derivatives having a pair of boron and nitrogen aimed at the multi-resonance (MR) effect. The computational study with the STEOM-DLPNO-CCSD method clarified that the combination of a BN ring-fusion and a terminal carbazole enhanced the MR effect and spin-orbit coupling matrix element (SOCME), simultaneously. Also, we clarified that the second triplet excited state (T2) plays an important role in efficient MR-based thermally activated delayed fluorescence (TADF). Furthermore, we obtained a blue–violet OLED with an external EL quantum efficiency (EQE) of 9.1%, implying the presence of a pronounced nonradiative decay path from the lowest triplet excited state (T1).

Original languageEnglish
Article number990918
JournalFrontiers in Chemistry
Publication statusPublished - Sept 19 2022

All Science Journal Classification (ASJC) codes

  • Chemistry(all)


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