Effect of Hydrogen Bonding on Thermally Activated Delayed Fluorescence Behaviors Based on a Study of Hydrate Crystals,The Journal of Physical Chemistry Letters

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Effect of Hydrogen Bonding on Thermally Activated Delayed Fluorescence Behaviors Based on a Study of Hydrate Crystals
The Journal of Physical Chemistry Letters ( IF 4.8 ) Pub Date : 2023-06-01 , DOI: 10.1021/acs.jpclett.3c00915
Masashi Mamada ₁ , Hiroshi Katagiri ₂ , Chihaya Adachi _{1,

3}

Affiliation

Reverse intersystem crossing (RISC) in purely organic molecules has become an attractive research topic since the demonstration of high efficiencies in organic light-emitting diodes using thermally activated delayed fluorescence (TADF). Although the intermolecular interactions have a significant impact on the exciton dynamics, it is generally difficult to identify the quantitative relationship associated with a specific factor. In this work, we used a clathrate crystal with TADF and H₂O molecules to evaluate the effect of hydrogen bonding while maintaining molecular conformations and other intermolecular interactions. The hydrogen bonding shifted the charge transfer excited states to lower energies, resulting in superior TADF properties. Although the increase in the RISC rate is considered to enhance the stabilities of TADF molecules, photostability analysis revealed nearly the same degradation speed despite the 3 times faster RISC rate.

中文翻译：

基于水合物晶体研究的氢键对热激活延迟荧光行为的影响

自从使用热激活延迟荧光 (TADF) 证明有机发光二极管的高效率以来，纯有机分子中的反向系统间交叉 (RISC) 已成为一个有吸引力的研究课题。尽管分子间相互作用对激子动力学有重大影响，但通常很难确定与特定因素相关的定量关系。_{在这项工作中，我们使用了具有 TADF 和 H 2}的包合物晶体O 分子评估氢键的影响，同时保持分子构象和其他分子间相互作用。氢键将电荷转移激发态转移到较低能量，从而产生优异的 TADF 特性。尽管 RISC 速率的增加被认为可以增强 TADF 分子的稳定性，但光稳定性分析显示尽管 RISC 速率快了 3 倍，但降解速度几乎相同。

更新日期：2023-06-01

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