Enhancing Spin–Orbit Coupling by Introducing a Lone Pair Electron with p Orbital Character in a Thermally Activated Delayed Fluorescence Emitter: Photophysics and Devices,The Journal of Physical Chemistry Letters

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Enhancing Spin–Orbit Coupling by Introducing a Lone Pair Electron with p Orbital Character in a Thermally Activated Delayed Fluorescence Emitter: Photophysics and Devices
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2019-05-06 00:00:00 , DOI: 10.1021/acs.jpclett.9b00937
Zhanxiang Chen ₁ , Fan Ni ₂ , Zhongbin Wu ₃ , Yuchen Hou ₁ , Cheng Zhong ₁ , Manli Huang ₁ , Guohua Xie ₁ , Dongge Ma ₃ , Chuluo Yang _{1,

2}

Affiliation

Reverse intersystem crossing (RISC) is the rate-limited step for the radiative process of thermally activated delayed fluorescence (TADF) materials, which is important to achieve ideal photoluminescence and electroluminescence efficiency. Herein, we propose a new strategy of introducing a lone pair (n) electron with p orbital character to enhance spin–orbit coupling (SOC) for promoting the RISC process. A proof-of-concept TADF molecule with p orbital lone pairs, namely, MoCz-PCN, was developed, and three counterparts without any p lone pairs, namely, DMAc-PCN, DPAc-PCN, and SpiroAc-PCN, were constructed for comparison. The experimental data revealed that MoCz-PCN exhibits a ca. 1.9 times higher RISC rate than the counterparts, which can be ascribed to enhanced SOC. Moreover, a significant increase in external quantum efficiency is observed in the MoCz-PCN-based OLED device. These findings provide a feasible strategy to develop highly efficient TADF emitters by introducing a lone pair (n) electron with p orbital character.

中文翻译：

通过在热激活的延迟荧光发射体中引入具有p轨道特性的孤对电子来增强自旋-轨道耦合：光物理和器件

反向系统间穿越（RISC）是热激活延迟荧光（TADF）材料辐射过程的速率限制步骤，这对于实现理想的光致发光和电致发光效率非常重要。在本文中，我们提出了一种引入具有p轨道特性的孤对（n）电子以增强自旋轨道耦合（SOC）来促进RISC过程的新策略。开发了具有p个轨道孤对的概念证明TADF分子，即MoCz-PCN，并构建了三个没有任何p对孤子的对应物，即DMAc-PCN，DPAc-PCN和SpiroAc-PCN。比较。实验数据表明，MoCz-PCN展示一个ca。RISC速率是同类产品的1.9倍，这可以归因于SOC的提高。此外，在基于MoCz-PCN的OLED器件中观察到外部量子效率的显着提高。这些发现为通过引入具有p轨道特征的孤对（n）电子提供了开发高效TADF发射器的可行策略。

更新日期：2019-05-06

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