Wang Linyu, Han Xiao, Liu Qun, Li Jianye, He Zhifang
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.
Polymers (Basel). 2024 Sep 19;16(18):2643. doi: 10.3390/polym16182643.
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 ().
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。