Ultrafast Photophysics of Multiple-Resonance Ultrapure Blue Emitters,The Journal of Physical Chemistry B

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Ultrafast Photophysics of Multiple-Resonance Ultrapure Blue Emitters
The Journal of Physical Chemistry B ( IF 2.8 ) Pub Date : 2022-04-05 , DOI: 10.1021/acs.jpcb.2c00144
Yixuan Gao ₁ , Yaxin Wang ₁ , Zilong Guo ₁ , Yan Wan ₂ , Chenglong Li ₃ , Bing Yang ₃ , Wensheng Yang _{1,

4} , Xiaonan Ma ₁

Affiliation

Multiple-resonance thermally activated delayed fluorescence (MR-TADF) emitters are becoming increasingly attractive due to their applications in high-resolution organic light-emitting diode (OLED) display technology. Here, we present an investigation on the photophysics of two MR-TADF emitters (t-DABNA and TBN-TPA) by using quantum chamical calculation and ultrafast transient absorption (TA) spectroscopy. Compared with one-step structural planarization of t-DABNA, TBN-TPA undergoes two-step relaxation in S₁ state, i.e., fast twisting of the peripheral group and subsequent restrained planarization of the B-N framework. The efficient twisting motion of the peripheral group largely reduces the energy level of the TBN-TPA system and correspondingly increases the barrier for subsequent planarization, which is favored for the narrowband emission. Our work provides a detailed picture for the excited-state deactivation of peripheral group-modified MR-TADF emitters without a pronounced charge-transfer (CT) characteristic mixed in the lowest-lying fluorescent state, which might be helpful for the future design of narrowband OLED emitters.

中文翻译：

多共振超纯蓝色发射器的超快光物理

多共振热激活延迟荧光 (MR-TADF) 发射器由于其在高分辨率有机发光二极管 (OLED) 显示技术中的应用而变得越来越有吸引力。在这里，我们通过使用量子化学计算和超快瞬态吸收 (TA) 光谱对两个 MR-TADF 发射器（t-DABNA 和 TBN-TPA）的光物理学进行了研究。_{与 t-DABNA 的一步结构平面化相比，TBN-TPA 在 S 1}中经历了两步弛豫状态，即外围组的快速扭曲和随后的BN框架的受限平面化。外围组的有效扭转运动在很大程度上降低了 TBN-TPA 系统的能级，并相应地增加了后续平面化的势垒，这有利于窄带发射。我们的工作为外围基团修饰的 MR-TADF 发射器的激发态失活提供了详细的图片，在最低荧光状态下混合没有明显的电荷转移 (CT) 特性，这可能有助于窄带的未来设计OLED发射器。

更新日期：2022-04-05

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