Two novel D-σ-A molecules bearing 2,4,6-diphenyl-1,3,5-triazine (TRZ) units as electron-accepting segment and 1,3-di (9H-carbazol-9-yl)benzene (mCP) or 9'-(4-(4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy)phenyl)-9′H-9,3':6′,9″-tercarbazole (TCz) as electron-donating moiety, named as 9,9'-(5-(4-(4,6-diphenyl-1,3,5-triazin-2-yl) phenoxy) −1,3- phenylene) bis(9H-carbazole) (mCP-o-TRZ) and 9'-(4-(4-(4,6-diphenyl-1,3,5-triazin-2-yl) phenoxy)) phenyl)- 9′H-9,3':6′,9″-tercarbazole (TCz-o-TRZ), are designed and synthesized. The oxygen atom is applied as a bridge between the various donor and acceptor parts to realize the conjugation-forbidden linkage of the molecular backbone. The photophysical properties, solvatochromism, theoretical calculations, thermal properties and device performance are systematically investigated. As anticipated, the mCP-o-TRZ molecule was endowed with intramolecular charge transfer (intra-CT) and intermolecular charge transfer (inter-CT), while only intra-CT can be obtained in the TCz-o-TRZ material. The solution-processed OLEDs employed mCP-o-TRZ as host for the phosphorescence guest (tris(2-methylphenylpyridine) iridium (III)) (Ir (mppy)₃) realized a maximum EQE of 9.0%, which is superior to that of TCz-o-TRZ. The results demonstrate that the development of new D-σ-A molecule equipped with dual CTs is a promising strategy for fabricating organic light-emitting diodes.

两个带有2,4,6-二苯基-1,3,5-三嗪（TRZ）单元作为电子接受段和1,3-二（9H-咔唑-9-基）苯的D-σ-A分子（ mCP）或9'-（4-（4-（4-（4,6-二苯基-1,3,5-三嗪-2-基）苯氧基）苯基）-9'H-9,3'：6'，9'' -叔咔唑（TCz）作为供电子部分，命名为9,9'-（5-（4-（4,6-二苯基-1,3,5-三嗪-2-基）苯氧基）-1,3-亚苯基）双（9H-咔唑）（mCP-o-TRZ）和9'-（4-（4-（4,6-二苯基-1,3,5-三嗪-2-基）苯氧基））苯基）-设计合成了9'H-9,3'：6'，9''-叔咔唑（TCz-o-TRZ）。氧原子用作各种供体和受体部分之间的桥，以实现分子骨架的禁止共轭连接。系统地研究了光物理性质，溶剂变色，理论计算，热性质和器件性能。不出所料 mCP-o-TRZ分子具有分子内电荷转移（intra-CT）和分子间电荷转移（inter-CT）的能力，而在TCz-o-TRZ材料中只能获得CT内。溶液处理的OLED使用mCP-o-TRZ作为磷光客体（三（2-甲基苯基吡啶）铱（III））（Ir（mppy）₃）实现了9.0％的最高EQE，优于TCz-o-TRZ。结果表明，配备双CT的新型D-σ-A分子的开发是制造有机发光二极管的有前途的策略。