Rational Design of AIPE-Active Cationic Ir(III) Complexes for Detecting Picric Acid in Aqueous Media

IF 3.7 2区化学 Q2 CHEMISTRY, APPLIED

Applied Organometallic Chemistry Pub Date : 2025-08-20 DOI:10.1002/aoc.70370

Qinglong Zhang, Ping He, Xinnan Wang, Chen Wang, Chao Yang, Chun Liu

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Abstract

The efficient detection of nitroaromatic explosives is of great importance to social safety. For this purpose, three cationic Ir(III) complexes Ir1–Ir3 were synthesized. Ir1–Ir3 exhibit aggregation-induced phosphorescent emission (AIPE) properties and can be utilized for sensitively and selectively detecting picric acid (PA) in an H₂O/CH₃CN system. The results demonstrate that there is a positive correlation between the AIPE activities of Ir(III) complexes and their efficiencies in detecting PA. 4-Fluorophenyl-substituted complex Ir3 possesses the highest AIPE activity and exhibits the highest quenching constant (K_SV = 635,621 M⁻¹) and the lowest limit of detection (LOD = 2.6 nM) for detecting PA among these complexes. The crystal structures reveal that the higher AIPE activity of Ir3 is owing to its more abundant molecular interactions compared to Ir2. The density functional theory calculations suggest that luminescence quenching is due to the photo-induced electron transfer.

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aipe活性阳离子Ir（III）配合物检测苦味酸的合理设计

硝基芳香炸药的有效探测对社会安全具有重要意义。为此，合成了三个阳离子Ir（III）配合物Ir1-Ir3。Ir1-Ir3具有聚集诱导磷光发射（AIPE）特性，可用于水/CH3CN体系中苦味酸（PA）的灵敏和选择性检测。结果表明，Ir（III）配合物的AIPE活性与其检测PA的效率呈正相关。4-氟苯基取代配合物Ir3具有最高的AIPE活性，并具有最高的猝灭常数（KSV = 635,621 M−1）和最低的检测限（LOD = 2.6 nM）。晶体结构表明，Ir3具有较高的AIPE活性是由于其比Ir2具有更丰富的分子相互作用。密度泛函理论计算表明，发光猝灭是由光致电子转移引起的。

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来源期刊

Applied Organometallic Chemistry 化学-无机化学与核化学

CiteScore

7.80

自引率

10.30%

发文量

408

审稿时长

2.2 months

期刊介绍： All new compounds should be satisfactorily identified and proof of their structure given according to generally accepted standards. Structural reports, such as papers exclusively dealing with synthesis and characterization, analytical techniques, or X-ray diffraction studies of metal-organic or organometallic compounds will not be considered. The editors reserve the right to refuse without peer review any manuscript that does not comply with the aims and scope of the journal. Applied Organometallic Chemistry publishes Full Papers, Reviews, Mini Reviews and Communications of scientific research in all areas of organometallic and metal-organic chemistry involving main group metals, transition metals, lanthanides and actinides. All contributions should contain an explicit application of novel compounds, for instance in materials science, nano science, catalysis, chemical vapour deposition, metal-mediated organic synthesis, polymers, bio-organometallics, metallo-therapy, metallo-diagnostics and medicine. Reviews of books covering aspects of the fields of focus are also published.