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具有NBO型拓扑结构的三维锌配位化合物的合成、晶体结构及光致发光

Synthesis, crystal structure and photoluminescence of a three-dimensional zinc coordination compound with NBO-type topology.

作者信息

Liu Xi, Fu Bo, Li Lin, Jian Yun Fei, Shu Si

机构信息

Key Laboratory of Green Synthesis and Applications, College of Chemistry, Chongqing Normal University, No. 37 Daxuecheng Middle Road, Shapingba District, Chongqing 401331, People's Republic of China.

出版信息

Acta Crystallogr C Struct Chem. 2019 Mar 1;75(Pt 3):277-282. doi: 10.1107/S205322961900189X. Epub 2019 Feb 12.

DOI:10.1107/S205322961900189X
PMID:30833522
Abstract

The assembly of metal-organic frameworks (MOFs) with metal ions and organic ligands is currently attracting considerable attention in crystal engineering and materials science due to their intriguing architectures and potential applications. A new three-dimensional MOF, namely poly[[diaqua(μ-para-terphenyl-3,3',5,5'-tetracarboxylato)dizinc(II)] dimethylformamide disolvate monohydrate], {[Zn(CHO)(HO)]·2CHNO·HO}, was synthesized by the self-assembly of Zn(NO)·6HO and para-terphenyl-3,3',5,5'-tetracarboxylic acid (HTPTC) under solvothermal conditions. The compound was structurally characterized by FT-IR spectroscopy, elemental analysis and single-crystal X-ray diffraction analysis. Each Zn ion is located in a square-pyramidal geometry and is coordinated by four carboxylate O atoms from four different TPTC ligands. Pairs of adjacent equivalent Zn ions are bridged by four carboxylate groups, forming [Zn(OCR)] (R = terphenyl) paddle-wheel units. One aqua ligand binds to each Zn centre along the paddle-wheel axis. Each [Zn(OCR)] paddle wheel is further linked to four terphenyl connectors to give a three-dimensional framework with NBO-type topology. The thermal stability and solid-state photoluminescence properties of the title compound have also been investigated.

摘要

金属有机框架(MOF)由金属离子和有机配体组装而成,由于其引人入胜的结构和潜在应用,目前在晶体工程和材料科学领域备受关注。通过在溶剂热条件下使Zn(NO₃)₂·6H₂O与对三联苯-3,3',5,5'-四羧酸(H₄TPTC)自组装,合成了一种新的三维MOF,即聚[[二水合(μ-对三联苯-3,3',5,5'-四羧酸根)二锌(II)]二甲基甲酰胺二溶剂化物一水合物],{[Zn₂(C₁₄H₆O₄)(H₂O)₂]·2C₃H₇NO·H₂O}。通过傅里叶变换红外光谱、元素分析和单晶X射线衍射分析对该化合物进行了结构表征。每个Zn离子处于四方锥几何构型,由来自四个不同TPTC配体的四个羧酸根O原子配位。相邻的等效Zn离子对由四个羧酸根基团桥连,形成[Zn₂(μ-O₂CR)₂](R = 对三联苯)桨轮单元。一个水配体沿桨轮轴与每个Zn中心结合。每个[Zn₂(μ-O₂CR)₂]桨轮进一步与四个对三联苯连接体相连,形成具有NBO型拓扑结构的三维框架。还研究了标题化合物的热稳定性和固态光致发光性质。

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