A new 3D Cd(II)-based metal-organic framework as dual-function luminescent sensor to ions and antibiotic: Mechanism and theoretical studies

IF 4 2区化学 Q2 CHEMISTRY, PHYSICAL Journal of Molecular Structure Pub Date : 2024-11-08 DOI:10.1016/j.molstruc.2024.140691

Xin Wang , Manaswini Ray , Like Zou , Jing Xu , Lipeeka Rout , Yu Wu , Mohd Afzal , Abdullah Alarifi , Aurobinda Mohanty

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Abstract

A new Cd(II) metal-organic framework (Cd-MOF), namely [Cd₂(L)(H₂O)₃·3·4H₂O]_n (1) (H₄L = (3-(2,4-dicarboxylphenyl)-2,6-dicarboxylpyridine)) was effectively produced. 1 shows a new 3D 3,5-connected network with gra topology built by the multi-carboxylate linker through (κ²)-(κ¹)-μ₂, (κ¹)-(κ¹)-μ₁ and (κ⁰)-(κ¹)-μ₁ coordination modes. The sensing results showed that 1 would be a viable possibility for developing luminous sensors to sensitively probe nitrofurazone (NFZ), Fe³⁺, and CrO₄^2-. The limits of detection (LODs) for Fe³⁺, CrO₄²⁻and NFZ were calculated to be 1.17 × 10^–7 M^-1, 1.63 × 10^–7 M^-1 and 7.03 × 10^–8M^-1, respectively. Density functional theory (DFT), UV–vis spectroscopy, and PXRD research have reinforced the understanding of luminescence sensing mechanisms.

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新型三维镉(II)基金属有机框架作为离子和抗生素的双重功能发光传感器：机理和理论研究

一种新的镉(II)金属有机框架（Cd-MOF），即[Cd2(L)(H2O)3-3-4H2O]n (1)（H4L = (3-(2,4-二羧基苯基)-2,6-二羧基吡啶）被有效地制备出来。1 通过 (κ2)-(κ1)-μ2 、(κ1)-(κ1)-μ1 和 (κ0)-(κ1)-μ1 配位模式，展示了由多羧酸连接体构建的具有 gra 拓扑结构的新型三维 3,5 连接网络。传感结果表明，1 是开发发光传感器以灵敏探测硝基呋喃唑酮（NFZ）、Fe3+ 和 CrO42- 的可行方法。经计算，Fe3+、CrO42 和 NFZ 的检测限分别为 1.17 × 10-7 M-1、1.63 × 10-7 M-1 和 7.03 × 10-8M-1。密度泛函理论（DFT）、紫外可见光谱和 PXRD 研究加深了人们对发光传感机制的理解。

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来源期刊

Journal of Molecular Structure 化学-物理化学

CiteScore

7.10

自引率

15.80%

发文量

2384

审稿时长

45 days

期刊介绍： The Journal of Molecular Structure is dedicated to the publication of full-length articles and review papers, providing important new structural information on all types of chemical species including: • Stable and unstable molecules in all types of environments (vapour, molecular beam, liquid, solution, liquid crystal, solid state, matrix-isolated, surface-absorbed etc.) • Chemical intermediates • Molecules in excited states • Biological molecules • Polymers. The methods used may include any combination of spectroscopic and non-spectroscopic techniques, for example: • Infrared spectroscopy (mid, far, near) • Raman spectroscopy and non-linear Raman methods (CARS, etc.) • Electronic absorption spectroscopy • Optical rotatory dispersion and circular dichroism • Fluorescence and phosphorescence techniques • Electron spectroscopies (PES, XPS), EXAFS, etc. • Microwave spectroscopy • Electron diffraction • NMR and ESR spectroscopies • Mössbauer spectroscopy • X-ray crystallography • Charge Density Analyses • Computational Studies (supplementing experimental methods) We encourage publications combining theoretical and experimental approaches. The structural insights gained by the studies should be correlated with the properties, activity and/ or reactivity of the molecule under investigation and the relevance of this molecule and its implications should be discussed.