TY - JOUR
T1 - Multiple resonance type thermally activated delayed fluorescence by dibenzo [1,4] azaborine derivatives
AU - Bae, Jaehyun
AU - Sakai, Mika
AU - Tsuchiya, Yoichi
AU - Ando, Naoki
AU - Chen, Xiankai
AU - Nguyen, Thanh Ba
AU - Chan, Chin Yiu
AU - Lee, Yi Ting
AU - Auffray, Morgan
AU - Nakanotani, Hajime
AU - Yamaguchi, Shigehiro
AU - Adachi, Chihaya
N1 - Funding Information:
This work is supported by Kyulux Inc. JSPS Core-to-core Program (Grant Number: JPJSCCA20180005), and WPI-I2CNER MEXT Japan, KAKENHI Grant 18H05261 from the Japan Society for the Promotion of Science (JSPS) and CREST (JPMJCR21O5), Japan Science and Technology Agency (JST).
Publisher Copyright:
Copyright © 2022 Bae, Sakai, Tsuchiya, Ando, Chen, Nguyen, Chan, Lee, Auffray, Nakanotani, Yamaguchi and Adachi.
PY - 2022/9/19
Y1 - 2022/9/19
N2 - 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).
AB - 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).
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U2 - 10.3389/fchem.2022.990918
DO - 10.3389/fchem.2022.990918
M3 - Article
AN - SCOPUS:85139242696
SN - 2296-2646
VL - 10
JO - Frontiers in Chemistry
JF - Frontiers in Chemistry
M1 - 990918
ER -