Zhu Yuting, Kuang Xiaofei, Li Ting-Ting, Hou Chen-Lu, Yang Hui, Lu Can-Zhong
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002 Fujian, P. R. China.
College of Chemistry and Materials Science, Fujian Normal University, Fuzhou 350007, P. R. China.
Inorg Chem. 2025 Apr 28;64(16):8334-8342. doi: 10.1021/acs.inorgchem.5c00733. Epub 2025 Apr 16.
In the global context of green chemistry and sustainable development, luminescent copper(I) halide complexes hold broad applications, attributed to their abundant resources and excellent photophysical properties. Herein, two novel copper(I) halide complexes were synthesized and systematically investigated using single-crystal X-ray diffraction, photophysical characterization, and theoretical calculations among other methods. Both solid-state complexes exhibit bright green luminescent emissions with low self-absorption rates. The photoluminescence quantum yields (PLQYs) are as high as 95% and 87%, respectively. Because their singlet-triplet energy gaps (Δ) are very small, both being 0.10 eV, these complexes can achieve thermally activated delayed fluorescence emission through efficient reverse intersystem crossing. Theoretical calculations revealed that their high-efficiency luminescence arises from the synergistic effects of metal-to-ligand charge transfer, halogen-to-ligand charge transfer, and ligand-to-ligand charge transfer.
在绿色化学和可持续发展的全球背景下，卤化亚铜发光配合物因其资源丰富和优异的光物理性质而具有广泛的应用。在此，合成了两种新型卤化亚铜配合物，并采用单晶X射线衍射、光物理表征和理论计算等方法对其进行了系统研究。两种固态配合物均表现出明亮的绿色发光，且自吸收率较低。光致发光量子产率（PLQYs）分别高达95%和87%。由于它们的单重态-三重态能隙（Δ）非常小，均为0.10 eV，这些配合物可以通过有效的反向系间窜越实现热激活延迟荧光发射。理论计算表明，它们的高效发光源于金属到配体的电荷转移、卤素到配体的电荷转移以及配体到配体的电荷转移的协同效应。
