Tuning Luminescence in Gold(I)-Phosphine Complexes: Structural, Photophysical, and Theoretical Insights

IF 6.1 1区 化学 Q1 CHEMISTRY, INORGANIC & NUCLEAR
Anyie P Atencio, Sergi Burguera Piña, George Zhuchkov, Araceli de Aquino, Jas S Ward, Kari Rissanen, J. Carlos Lima, Inmaculada Angurell, Antonio Frontera, Laura Rodriguez
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引用次数: 0

Abstract

Gold(I) complexes featuring phosphine ligands functionalized with chromophores such as triphenylene, phenanthrene, and carbazole were synthesized and systematically studied to explore the relationship between molecular structure and luminescence properties. Comprehensive photophysical characterization revealed that the coordination environment and chromophore positioning significantly influence intersystem crossing, phosphorescence, and aggregation behavior. In solution, aggregation-induced phenomena were probed using computational tools, including density functional theory (DFT) and noncovalent interaction (NCI) analysis, revealing diverse π-stacking and Au···π interactions. Distinct photophysical trends were identified among the three series of compounds, with triphenylene derivatives exhibiting aggregation-induced emission broadening and phenanthrene derivatives showing strong heavy atom effects. The combination of experimental and theoretical insights provides a foundation for designing luminescent materials with tunable properties for optoelectronic applications.
金(I)-膦配合物的调谐发光:结构、光物理和理论见解
合成了磷配体与三苯、菲、咔唑等发色团功能化的金(I)配合物,并对其分子结构与发光性能的关系进行了系统研究。综合光物理表征表明,配位环境和发色团定位显著影响系统间交叉、磷光和聚集行为。在溶液中,利用密度泛函理论(DFT)和非共价相互作用(NCI)等计算工具探讨了聚集诱导的现象,揭示了多种π堆积和Au··π相互作用。三个系列的化合物具有明显的光物理变化趋势,其中三苯基衍生物表现出聚集诱导的发射展宽,而菲衍生物表现出强烈的重原子效应。实验和理论见解的结合为设计具有可调谐特性的光电应用发光材料提供了基础。
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来源期刊
Inorganic Chemistry Frontiers
Inorganic Chemistry Frontiers CHEMISTRY, INORGANIC & NUCLEAR-
CiteScore
10.40
自引率
7.10%
发文量
587
审稿时长
1.2 months
期刊介绍: The international, high quality journal for interdisciplinary research between inorganic chemistry and related subjects
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