TY - JOUR
T1 - Planar and Rigid Pyrazine-Based TADF Emitter for Deep Blue Bright Organic Light-Emitting Diodes
AU - Rajamalli, Pachaiyappan
AU - Chen, Dongyang
AU - Suresh, Subeesh Madayanad
AU - Tsuchiya, Youichi
AU - Adachi, Chihaya
AU - Zysman-Colman, Eli
N1 - Publisher Copyright:
© 2021 The Authors. European Journal of Organic Chemistry published by Wiley-VCH GmbH
Copyright:
Copyright 2021 Elsevier B.V., All rights reserved.
PY - 2021
Y1 - 2021
N2 - Two blue thermally activated delayed fluorescence (TADF) emitters bearing di-tert-butyl carbazoles as the electron donor groups and pyrazine (DTCz-Pz) or dipyrazine (DTCz-Pz) as the electron acceptor are presented. The DFT calculations predict DTCz-Pz and DTCz-DPz to possess high S1 energies (3.19 eV and 3.08 eV, respectively), and relatively large ΔEST values (0.52 eV and 0.56 eV, respectively). The closely layered intermediate triplet states between S1 and T1, predicted by DFT calculations, are expected to facilitate the reverse intersystem crossing (RISC) and improve spin-vibronic coupling efficiency between the excited states, even the relatively larger ΔESTs. The ΔESTs for DTCz-Pz and DTCz-DPz are 0.27 eV and 0.38 eV, and both molecules show high photoluminescence quantum yields (65 %, and 70 %, respectively). The decay lifetimes show temperature dependence in a PPT host, which is consistent with the fact that both molecules are TADF emitters in PPT. The OLEDs based on DTCz-Pz exhibit deep blue emission with λEL of 460 nm and CIE of (0.15, 0.16). The maximum external quantum efficiency (EQEmax) reaches 11.6 %, with a maximum luminance (Lmax) of up to 6892 cd m−2, while the device based on DTCz-DPz exhibits sky blue emission with λEL of 484 nm and CIE of (0.15, 0.30), an EQEmax of 7.2 %, and Lmax of 8802 cd m−2.
AB - Two blue thermally activated delayed fluorescence (TADF) emitters bearing di-tert-butyl carbazoles as the electron donor groups and pyrazine (DTCz-Pz) or dipyrazine (DTCz-Pz) as the electron acceptor are presented. The DFT calculations predict DTCz-Pz and DTCz-DPz to possess high S1 energies (3.19 eV and 3.08 eV, respectively), and relatively large ΔEST values (0.52 eV and 0.56 eV, respectively). The closely layered intermediate triplet states between S1 and T1, predicted by DFT calculations, are expected to facilitate the reverse intersystem crossing (RISC) and improve spin-vibronic coupling efficiency between the excited states, even the relatively larger ΔESTs. The ΔESTs for DTCz-Pz and DTCz-DPz are 0.27 eV and 0.38 eV, and both molecules show high photoluminescence quantum yields (65 %, and 70 %, respectively). The decay lifetimes show temperature dependence in a PPT host, which is consistent with the fact that both molecules are TADF emitters in PPT. The OLEDs based on DTCz-Pz exhibit deep blue emission with λEL of 460 nm and CIE of (0.15, 0.16). The maximum external quantum efficiency (EQEmax) reaches 11.6 %, with a maximum luminance (Lmax) of up to 6892 cd m−2, while the device based on DTCz-DPz exhibits sky blue emission with λEL of 484 nm and CIE of (0.15, 0.30), an EQEmax of 7.2 %, and Lmax of 8802 cd m−2.
UR - http://www.scopus.com/inward/record.url?scp=85102380100&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85102380100&partnerID=8YFLogxK
U2 - 10.1002/ejoc.202100086
DO - 10.1002/ejoc.202100086
M3 - Article
AN - SCOPUS:85102380100
JO - Liebigs Annalen der Chemie
JF - Liebigs Annalen der Chemie
SN - 1434-193X
ER -