Trifluoromethyl-functionalized zirconium-based metal-organic cage (ZrT-(CF3)2): An efficient adsorbent for salicylic acid removal

IF 3.2 3区化学 Q2 CHEMISTRY, INORGANIC & NUCLEAR

Journal of Solid State Chemistry Pub Date : 2024-11-13 DOI:10.1016/j.jssc.2024.125098

Jian Li , Shuai-Bing Ma , De-Sheng Wei , Wan-Yi Lan , Ting-Ting Xu , Yu-Teng Zhang , Nan Lv , Shuang-Bao Li

引用次数: 0

Abstract

Herein, a novel CF₃-functionalized zirconium-based metal-organic tetrahedron (ZrT-(CF₃)₂) was constructed based on 2.5-bis(trifluoromethyl)terephthalic acid (H₂BDC-(CF₃)₂) ligand and trinuclear zirconocene building unit. Notably, the single crystals of ZrT-(CF₃)₂ was obtained under traditional solvothermal condition, while the yield and purity could be further improved by the microwave-assisted solvothermal method. Subsequently, the adsorption performance of ZrT-(CF₃)₂ for salicylic acid (SA) emerging contaminant was systematically evaluated, indicating a maximum adsorption capacity of 99.91 mg/g under optimal conditions. Furthermore, a possible adsorption mechanism was proposed based on experimental results and DFT simulations.

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三氟甲基功能化锆基金属有机笼 (ZrT-(CF3)2)：去除水杨酸的高效吸附剂

本文以 2.5-双（三氟甲基）对苯二甲酸（H2BDC-(CF3)2）配体和三核锆烯构建单元为基础，构建了一种新型 CF3 功能化锆基金属有机四面体（ZrT-(CF3)2）。值得注意的是，在传统的溶热条件下获得了 ZrT-(CF3)2单晶，而微波辅助溶热法则进一步提高了产率和纯度。随后，系统评估了 ZrT-(CF3)2 对水杨酸（SA）新污染物的吸附性能，结果表明在最佳条件下，ZrT-(CF3)2 的最大吸附容量为 99.91 mg/g。此外，还根据实验结果和 DFT 模拟提出了一种可能的吸附机理。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Solid State Chemistry 化学-无机化学与核化学

CiteScore

6.00

自引率

9.10%

发文量

848

审稿时长

25 days

期刊介绍： Covering major developments in the field of solid state chemistry and related areas such as ceramics and amorphous materials, the Journal of Solid State Chemistry features studies of chemical, structural, thermodynamic, electronic, magnetic, and optical properties and processes in solids.