以2-氨基-5-甲基噻二唑作为溴离子传感器的简单四面体锌（II）配合物：合成、晶体结构、对溴离子发光响应的开启能力及计算研究

IF 2.7 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Inorganica Chimica Acta Pub Date : 2025-05-14 DOI:10.1016/j.ica.2025.122756

Rais Ahmad Khan , Malak F. Altowairqi , Haitham S. Alhumud , Sameen Laeeq , Anup Paul , Saad G. Alshammari , Huda Alsaeedi , Ali Alsalme

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引用次数: 0

摘要

设计并合成了四面体Zn（II）配合物[Zn(MATZ)2(OAc)2]作为发光探针。[Zn(MATZ)2(OAc)2]是通过2-氨基-5-甲基-1,3,4-噻二唑‘ MATZ ’与单配位醋酸离子‘ OAc ’反应形成的。[Zn(MATZ)2(OAc)2]配合物的结构通过元素分析、FT-IR、1H NMR和13C NMR进行了测定，并通过单x射线晶体学进行了证实。评估了[Zn(MATZ)2(OAc)2]对选定阴离子、阳离子和溶剂的荧光传感能力。荧光传感研究的实验结果表明，该材料能够选择性地识别Br离子，并在446 nm的发射波长（λem）上产生开通荧光。结果表明，[Zn(MATZ)2(OAc)2]与Br离子的结合常数为3.04 × 1010 M−2，检出限为23.6 nM，定量限为78.96 nM。此外，利用DFT计算研究了[Zn(MATZ)2(OAc)2]对Br离子的传感机理。

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A simple tetrahedral zinc(II) complex with co-ligand ‘2-amino-5-methylthiadiazole’ as bromide ion sensor: Synthesis, crystal structure, ability to turn on luminescence response for Br¯ ion and computational studies

The tetrahedral Zn(II) complex, [Zn(MATZ)₂(OAc)₂] has been designed and synthesized as a luminescent probe. The formation of the [Zn(MATZ)₂(OAc)₂] has been accomplished through the reaction between 2-amino-5-methyl-1,3,4-thiadiazole ‘MATZ’ and mono-coordinated acetate ions ‘OAc’. The structural determination of the [Zn(MATZ)₂(OAc)₂] complex was conducted by utilizing elemental analysis, FT-IR, ¹H NMR, and ¹³C NMR spectroscopy and confirmed using single X-ray crystallography. The fluorescence sensing capabilities of the [Zn(MATZ)₂(OAc)₂] were evaluated for selected anions, cations, and solvents. The experimental results of the fluorescent sensing study demonstrated the ability to selectively recognize Br¯ ions, resulting in Turn-On fluorescence at an emission wavelength (λ_em) of 446 nm. The binding constant of the [Zn(MATZ)₂(OAc)₂] with Br¯ ions was found to be 3.04 × 10¹⁰ M⁻², the limit of detection (LOD) was 23.6 nM and the limit of quantification (LOQ) was 78.96 nM. Furthermore, the mechanism of Br¯ ion sensing by the [Zn(MATZ)₂(OAc)₂] was studies using DFT calculations.

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来源期刊

Inorganica Chimica Acta 化学-无机化学与核化学

CiteScore

6.00

自引率

3.60%

发文量

440

审稿时长

35 days

期刊介绍： Inorganica Chimica Acta is an established international forum for all aspects of advanced Inorganic Chemistry. Original papers of high scientific level and interest are published in the form of Articles and Reviews. Topics covered include: • chemistry of the main group elements and the d- and f-block metals, including the synthesis, characterization and reactivity of coordination, organometallic, biomimetic, supramolecular coordination compounds, including associated computational studies; • synthesis, physico-chemical properties, applications of molecule-based nano-scaled clusters and nanomaterials designed using the principles of coordination chemistry, as well as coordination polymers (CPs), metal-organic frameworks (MOFs), metal-organic polyhedra (MPOs); • reaction mechanisms and physico-chemical investigations computational studies of metalloenzymes and their models; • applications of inorganic compounds, metallodrugs and molecule-based materials. Papers composed primarily of structural reports will typically not be considered for publication.