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Circularly Polarized Electroluminescence from Intrinsically Axial Chiral Materials Based on Bidibenzo[b,d]furan/bidibenzo[b,d]thiophene
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2024-06-05 , DOI: 10.1002/adfm.202403803 Li Yuan 1 , Yi‐Fan Yang 1 , Zhi‐Ping Yan 1, 2 , Jia‐Jun Hu 1 , Dan Mao 1 , Hua‐Xiu Ni 1 , You‐Xuan Zheng 1
Advanced Functional Materials ( IF 18.5 ) Pub Date : 2024-06-05 , DOI: 10.1002/adfm.202403803 Li Yuan 1 , Yi‐Fan Yang 1 , Zhi‐Ping Yan 1, 2 , Jia‐Jun Hu 1 , Dan Mao 1 , Hua‐Xiu Ni 1 , You‐Xuan Zheng 1
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Herein, by connecting chiral bidibenzo[b,d]furan/bidibenzo[b,d]thiophene and multi-resonance thermally activated delayed fluorescence (MR-TADF) units, two pairs of intrinsically axial chiral MR-TADF materials (R/S-BDBF-BNO and R/S-BDBT-BNO) realize mirror-symmetric circularly polarized luminescence (CPL) and narrowband emission. The chiral moieties effectively engage in frontier molecular orbital distributions through the establishment of covalent bonds with boron atoms. The proportions of (1,1′-bidibenzo[b,d]furan)-2,2′-diol in the highest occupied and lowest unoccupied natural transition orbitals (HONTO/LUNTO) are 25.3% and 64.7%, respectively. In addition, BDBT-BNO processes a dual-channel transition mode, thus the (1,1′-bidibenzo[b,d]thiophene)-2,2′-diol constitutes 22.8%, 24.3% and 54.0%, 46.9% of the distributions of HONTO, HONTO-1 and LUNTO, LUNTO+1, respectively. The high proportions endow R/S-BDBF-BNO and R/S-BDBT-BNO with good CPL properties with dissymmetry factors (|gPL|) of 1.7/1.8 × 10−3. Correspondingly, the circularly polarized organic light-emitting diodes based on the enantiomers exhibit mirror symmetrical circularly polarized electroluminescence with |gEL| factors of 1.5/1.6 × 10−3. Furthermore, the introduction of sulphur atoms enables BDBT-BNO to have a high maximum external quantum efficiency of 35.7% in device.
中文翻译：
基于联二苯并[b,d]呋喃/联二苯并[b,d]噻吩的本征轴向手性材料的圆偏振电致发光
本文通过连接手性双二苯并[ b,d ]呋喃/双二苯并[ b,d ]噻吩和多共振热激活延迟荧光（MR-TADF）单元，制备了两对本质轴向手性MR-TADF材料（ R / S - BDBF-BNO和R / S - BDBT-BNO ）实现镜面对称圆偏振发光（CPL）和窄带发射。手性部分通过与硼原子建立共价键有效地参与前沿分子轨道分布。 (1,1'-联二苯并[ b,d ]呋喃)-2,2'-二醇在最高占据和最低未占据自然跃迁轨道(HONTO/LUNTO)中的比例分别为25.3%和64.7%。此外， BDBT-BNO采用双通道跃迁模式，因此(1,1'-联二苯并[ b,d ]噻吩)-2,2'-二醇分别占22.8%、24.3%和54.0%、46.9%。分别为 HONTO、HONTO-1 和 LUNTO、LUNTO+1 的分布。高比例赋予R / S - BDBF-BNO和R / S - BDBT-BNO良好的CPL 性质，不对称因子(| g PL |) 为1.7/1.8 × 10 -3 。相应地，基于对映体的圆偏振有机发光二极管表现出镜面对称的圆偏振电致发光，且具有|克EL | 1.5/1.6 × 10 -3的因子。此外，硫原子的引入使得BDBT-BNO在器件中具有高达35.7%的最大外量子效率。
更新日期：2024-06-05
中文翻译：
基于联二苯并[b,d]呋喃/联二苯并[b,d]噻吩的本征轴向手性材料的圆偏振电致发光
本文通过连接手性双二苯并[ b,d ]呋喃/双二苯并[ b,d ]噻吩和多共振热激活延迟荧光（MR-TADF）单元，制备了两对本质轴向手性MR-TADF材料（ R / S - BDBF-BNO和R / S - BDBT-BNO ）实现镜面对称圆偏振发光（CPL）和窄带发射。手性部分通过与硼原子建立共价键有效地参与前沿分子轨道分布。 (1,1'-联二苯并[ b,d ]呋喃)-2,2'-二醇在最高占据和最低未占据自然跃迁轨道(HONTO/LUNTO)中的比例分别为25.3%和64.7%。此外， BDBT-BNO采用双通道跃迁模式，因此(1,1'-联二苯并[ b,d ]噻吩)-2,2'-二醇分别占22.8%、24.3%和54.0%、46.9%。分别为 HONTO、HONTO-1 和 LUNTO、LUNTO+1 的分布。高比例赋予R / S - BDBF-BNO和R / S - BDBT-BNO良好的CPL 性质，不对称因子(| g PL |) 为1.7/1.8 × 10 -3 。相应地，基于对映体的圆偏振有机发光二极管表现出镜面对称的圆偏振电致发光，且具有|克EL | 1.5/1.6 × 10 -3的因子。此外，硫原子的引入使得BDBT-BNO在器件中具有高达35.7%的最大外量子效率。
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