Abdallah Abanoub Mosaad, Wolff Mariusz, Leygue Nadine, Deleuzière Maëlle, Saffon-Merceron Nathalie, Serpentini Charles-Louis, Benoist Eric, Fery-Forgues Suzanne
Laboratoire Synthèse et Physicochimie des Molécules d'Intérêt Biologique (SPCMIB), CNRS UMR 5068, Université de Toulouse, 118 Route de Narbonne, 31062 Toulouse CEDEX 9, France.
Narcotic Research Department, National Center for Social and Criminological Research (NCSCR), Giza 11561, Egypt.
Molecules. 2025 Jun 27;30(13):2776. doi: 10.3390/molecules30132776.
Due to their rare properties of solid-state luminescence enhancement (SLE), tricarbonylrhenium complexes are promising candidates for applications as photoluminescent materials. However, the effect of isomerism on optical properties is still not well known. The aim of this in-depth study is to explore the behavior of a 2-(1,2,3-triazol-1-yl)pyridine (tapy) complex and compare it with that of the isomers studied previously. Two derivatives that incorporate a mesoionic carbene ligand and represent an emerging class of molecules were also synthesized and compared with the corresponding isomers. The crystallographic data revealed that compounds in the solid state have little or no π-π interactions. The spectroscopic study was supported by DFT calculations. All the compounds were weakly phosphorescent in solution but exhibited a marked SLE effect. The Re-Tapy complex is an excellent solid-state emitter (PLQY = 0.62), well suited for applications related to aggregation-induced phosphorescence emission (AIPE). Its sensitivity to mechanical stimuli was unprecedented among the isomers considered to date. On the other hand, triazolylidene complexes are less emissive than their pyta counterparts. This study shows how the ligand isomerism influences the optical properties of tricarbonylrhenium(I) complexes. It indicates that selecting the right pattern is a key factor for the design of efficient photoluminescent materials.
由于具有固态发光增强（SLE）的罕见特性，三羰基铼配合物有望作为光致发光材料应用。然而，异构对光学性质的影响仍不太清楚。这项深入研究的目的是探索2-（1,2,3-三唑-1-基）吡啶（tapy）配合物的行为，并将其与先前研究的异构体进行比较。还合成了两种包含中离子卡宾配体且代表一类新兴分子的衍生物，并与相应的异构体进行比较。晶体学数据表明，固态化合物几乎没有或没有π-π相互作用。光谱研究得到了密度泛函理论（DFT）计算的支持。所有化合物在溶液中均为弱磷光，但表现出明显的SLE效应。Re-Tapy配合物是一种优异的固态发光体（PLQY = 0.62），非常适合与聚集诱导磷光发射（AIPE）相关的应用。在迄今为止所考虑的异构体中，其对机械刺激的敏感性是前所未有的。另一方面，三唑亚基配合物的发射性低于其pyta对应物。这项研究展示了配体异构如何影响三羰基铼（I）配合物的光学性质。它表明选择正确的模式是设计高效光致发光材料的关键因素。
