TY - JOUR
T1 - Multiple resonance type thermally activated delayed fluorescence by dibenzo [1,4] azaborine derivatives
AU - Bae, Jaehyun
AU - Sakai, Mika
AU - Tsuchiya, Youichi
AU - Ando, Naoki
AU - Chen, Xian-Kai
AU - Nguyen, Thanh Ba
AU - Chan, Chin-Yiu
AU - Lee, Yi-Ting
AU - Auffray, Morgan
AU - Nakanotani, Hajime
AU - Yamaguchi, Shigehiro
AU - Adachi, Chihaya
PY - 2022
Y1 - 2022
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). © 2022 Bae, Sakai, Tsuchiya, Ando,
Chen, Nguyen, Chan, Lee, Auffray,
Nakanotani, Yamaguchi and Adachi.
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). © 2022 Bae, Sakai, Tsuchiya, Ando,
Chen, Nguyen, Chan, Lee, Auffray,
Nakanotani, Yamaguchi and Adachi.
KW - azaborine
KW - blue–violet OLED
KW - multi-resonance
KW - TADF
KW - thermally activated delayed fluorescence
UR - http://www.scopus.com/inward/record.url?scp=85139242696&partnerID=8YFLogxK
UR - https://www.scopus.com/record/pubmetrics.uri?eid=2-s2.0-85139242696&origin=recordpage
U2 - 10.3389/fchem.2022.990918
DO - 10.3389/fchem.2022.990918
M3 - RGC 21 - Publication in refereed journal
C2 - 36199661
SN - 2296-2646
VL - 10
JO - Frontiers in Chemistry
JF - Frontiers in Chemistry
M1 - 990918
ER -