Sulfide, Sulfoxide, and Sulfone Substitution: Electron Structure Modulation from Para‐D‐π‐B to Para‐A‐π‐B in Multiple‐Resonance Emitters with Narrowband Emission and High Color Purity

Author:

Li Yanru1,Li Wansi2,Hu Jinlian1,Yao Xiang1,Hua Lei3,Cai Wanqing4,Shi Shiling1,Zhang Chan1,Liu Zhongwei1,Li Shihua1,Chen Xing1,Sun Zhe1,Ren Zhongjie3,Tang Man‐Chung2,Wei Guodan2,Fei Zhuping1ORCID

Affiliation:

1. Institute of Molecular Plus and Tianjin Key Laboratory of Molecular Optoelectronic Science Tianjin University Tianjin 300072 P. R. China

2. Institute of Materials Research Tsinghua‐Berkeley Shenzhen Institute Tsinghua Shenzhen International Graduate School Tsinghua University Shenzhen 518000 P. R. China

3. State Key Laboratory of Chemical Resource Engineering Beijing University of Chemical Technology Beijing 100029 P. R. China

4. Faculty of Materials Science MSU‐BIT University Shenzhen 518172 P. R. China

Abstract

AbstractMulti‐resonance thermally activated delayed fluorescence (MR‐TADF) emitters have been studied to address the issue of the broadband emission in organic light‐emitting diodes (OLEDs). Herein, the authors have systematically investigated the effect of electron‐donating or ‐withdrawing units in the para position of B atom on the optoelectronic emission modulation BCz‐BN MR‐TADF emitters. Due to the enhanced spin‐orbit coupling (SOC) effect, BN(p)SCH3 with electron structure of para‐D‐π‐B is synthesized by introducing a heavy S atom into the para position of B atom of BCz‐BN. By oxidizing BN(p)SCH3, BN(p)SOCH3 and BN(p)SO2CH3 with electron structure of para‐A‐π‐B have been synthesized. The quantum simulations and photophysical studies have illustrated BN(p)SCH3 can exhibit large reverse intersystem crossing rate constant (kRISC) of 6.4 × 104 s−1 due to the large SOC constants and small singlet‐triplet energy splitting (ΔEST) of 0.12 eV. BN(p)SOCH3 and BN(p)SO2CH3 with electron structure of para‐A‐π‐B displayed red‐shift emissions with smaller full‐width at half‐maximum (FWHM) values of ≈21 nm and kRISC values owing to enhanced ΔEST and the low emission contribution of the triplet excitons in contrast to those of BN(p)SCH3 with electron structure of para‐D‐π‐B. Consequently, BN(p)SCH3‐based OLEDs show highly efficient blue emission with an external quantum efficiency (EQE) of 26.2% and excellent color purity.

Funder

National Key Research and Development Program of China

Publisher

Wiley

Subject

Atomic and Molecular Physics, and Optics,Electronic, Optical and Magnetic Materials

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