基于{P2Mo5}的三维超分子框架，用于室温下硫化物到亚砜的高效转化

IF 4 2区化学 Q2 CHEMISTRY, PHYSICAL

Journal of Molecular Structure Pub Date : 2025-05-26 DOI:10.1016/j.molstruc.2025.142808

Shan Zhang, Jianxuan Feng, Ling Liu, Hongmei Wu, Qiangqiang Chen, Yu Guo

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引用次数: 0

摘要

以standberg型[P2Mo5O23]6−（缩写为{P2Mo5}）阴离子为基础，制备了一种超分子化合物[Zn(H2datrz)2(P2Mo5O23)(H2O)2]·10H2O(1)，其中Hdatrz表示3,5-二氨基-1,2,4-三唑。单晶x射线衍射分析表明，化合物1具有三维蜂窝状结构，由{P2Mo5}阴离子、Zn2+阳离子和质子化的[H2datrz]+阳离子通过多次氢键相互作用构成。在催化硫化物选择性氧化生成亚砜的过程中，化合物1表现出较高的催化效率和对底物电子性质和位阻的广泛耐受性。特别是，化合物1在室温下仅20分钟就实现了毒性2-氯乙基乙基硫化物（CEES）近100%的转化，氧硫比（O/S）低至1.05。这一显著成果不仅突出了化合物1的催化效率，也体现了其实用性。此外，经过5次催化循环后，化合物1保持了结构的完整性和催化稳定性，证明了其作为可重复使用催化剂的有效性。

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{P2Mo5}-based 3D supramolecular framework for efficient sulfides to sulfoxides conversion at room temperature

A supramolecular compound [Zn(H₂datrz)₂(P₂Mo₅O₂₃)(H₂O)₂]·10H₂O (1) based on the Standberg-type [P₂Mo₅O₂₃]⁶⁻ (abbreviated as {P₂Mo₅}) anion has been prepared, where Hdatrz denotes 3,5-diamino-1,2,4-triazole. Single crystal X-ray diffraction analysis revealed that compound 1 possesses a three-dimensional (3D) honeycomb-like structure, which is constructed by the {P₂Mo₅} anions, Zn²⁺ cations, and protonated [H₂datrz]⁺ cations through multiple hydrogen bonding interactions. In catalyzing the selective oxidation of sulfides to sulfoxides, compound 1 exhibited high catalytic efficiency and broad tolerance to the electronic properties and steric hindrance of the substrates. Particularly, compound 1 achieved nearly 100 % conversion of the toxic 2-chloroethyl ethyl sulfide (CEES) at room temperature in just 20 min and an oxygen-sulfur ratio (O/S) as low as 1.05. This remarkable achievement not only highlights the catalytic efficiency of compound 1 but also reflects its practicality. Furthermore, after five catalytic cycles, compound 1 maintained its structural integrity and catalytic stability, proving its effectiveness as a reusable catalyst.

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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.