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一种含 -2,3,4-三甲氧基肉桂酸和 4,4'-联吡啶配体的镉(II)配合物的晶体结构、光物理性质及抗菌活性

Crystal Structure, Photophysical Properties and Antibacterial Activity of a Cd(II) Complex with -2,3,4-Trimethoxycinnamic Acid and 4,4'-Bipyridine Ligands.

作者信息

Wang Linyu, Han Xiao, Liu Qun, Li Jianye, He Zhifang

机构信息

Hebei Key Laboratory of Heterocyclic Compounds, Hebei Center for New Inorganic Optoelectronic Nanomaterial Research, College of Chemical Engineering & Material, Handan University, Handan 056005, China.

Tianjin Institute for Food Safety Inspection Technology, Tianjin 300308, China.

出版信息

Polymers (Basel). 2024 Sep 19;16(18):2643. doi: 10.3390/polym16182643.

DOI:10.3390/polym16182643
PMID:39339107
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11436215/
Abstract

A new coordination polymer {[Cd(CHO)(4,4'-bpy)(HO)]} () was constructed with trans-2,3,4-Trimethoxycinnamic acid (HTmca) and 4,4'-Bipyridine (4,4'-bpy) ligands. This complex was structurally characterized on the basis of elemental analysis, infrared (IR) spectroscopy, powder X-ray diffraction and thermogravimetric analyses. X-ray crystallography revealed that the complex was monoclinic, space group C2/c. The Cd(II) ion in the complex was six coordinated, adopting an octahedron geometry. The neighboring Cd(II) ions linked linear ligand 4,4'-bpy molecules to form an infinite 1D chain. The 1D chain was further interlinked by O-H···O and C-H···O hydrogen bonds, resulting in a 3-D supramolecular framework. Meanwhile, the photoluminescence spectrum of the Cd(II) complex at room temperature exhibited an emission maximum at 475 nm. Using the time-dependent density functional theory (TD-DFT) method, the electronic absorption spectra of the Cd(II) complex was predicted. A good agreement was achieved between the predicted spectra and the experimental data. Bioactivity studies showed that the complex exhibited significant inhibition halos against () and ().

摘要

一种新型配位聚合物{[Cd(CHO)(4,4'-bpy)(HO)]} () 是由反式-2,3,4-三甲氧基肉桂酸(HTmca)和4,4'-联吡啶(4,4'-bpy)配体构建而成。该配合物通过元素分析、红外(IR)光谱、粉末X射线衍射和热重分析进行了结构表征。X射线晶体学表明该配合物为单斜晶系,空间群为C2/c。配合物中的Cd(II)离子为六配位,呈八面体几何构型。相邻的Cd(II)离子连接线性配体4,4'-bpy分子形成无限一维链。一维链通过O-H···O和C-H···O氢键进一步互连,形成三维超分子骨架。同时,Cd(II)配合物在室温下的光致发光光谱在475 nm处有最大发射峰。采用含时密度泛函理论(TD-DFT)方法预测了Cd(II)配合物的电子吸收光谱。预测光谱与实验数据之间取得了良好的一致性。生物活性研究表明,该配合物对 () 和 () 表现出显著的抑菌圈。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/f678a19c9da4/polymers-16-02643-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/0dbfdefd92b0/polymers-16-02643-g001.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/028683efcc4a/polymers-16-02643-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/fe401718d73b/polymers-16-02643-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/aa239ac87037/polymers-16-02643-g006.jpg
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https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/c5b6d2db84b6/polymers-16-02643-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/9b1d098aa34f/polymers-16-02643-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/712c3ebaf2d6/polymers-16-02643-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/f678a19c9da4/polymers-16-02643-g011.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/0dbfdefd92b0/polymers-16-02643-g001.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/33f8f495c413/polymers-16-02643-g002.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/3e683a014014/polymers-16-02643-g003.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/028683efcc4a/polymers-16-02643-g004.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/fe401718d73b/polymers-16-02643-g005.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/aa239ac87037/polymers-16-02643-g006.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/7d003011ba72/polymers-16-02643-g007.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/c5b6d2db84b6/polymers-16-02643-g008.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/9b1d098aa34f/polymers-16-02643-g009.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/712c3ebaf2d6/polymers-16-02643-g010.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/89fa/11436215/f678a19c9da4/polymers-16-02643-g011.jpg

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