Abstract A Cd(II)-based one-dimensional coordination polymer (1-D CP), [Cd2(mes)2(4-phpy)4] (1), was prepared using mesaconic acid (H2mes) and 4-phenyl pyridine (4-phpy) mixed ligand system. Compound 1 has been characterized by elemental analysis, infrared spectroscopy, thermogravimetric analysis (TGA), powder X-ray diffraction (PXRD) pattern and single crystal X-ray diffraction (SCXRD) techniques. Structural elucidation reveals a 1-D chain which contains a 14-membered metal-ligand ring composed of two mes ligands and two Cd(II) centers. Further, the 1-D chains are assembled into a two-dimensional (2-D) supramolecular network by C–H···π(metal-ligand ring) interactions. The fluorescence lifetime of 1 shows a good range of average lifetime. The theoretical band gap has also been calculated by density functional theory (DFT) computations, which shows that 1 may possess semiconducting properties. Graphical Abstract

中文翻译：

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C-H···π（金属-配体环）在中康酸酯桥连的 Cd(II) 一维配位聚合物中的相互作用：结构阐明、理论研究和光物理性质

摘要 使用中康酸 (H2mes) 和 4-苯基吡啶制备了基于 Cd(II) 的一维配位聚合物 (1-D CP) [Cd2(mes)2(4-phpy)4] (1) (4-phpy) 混合配体系统。化合物 1 已通过元素分析、红外光谱、热重分析 (TGA)、粉末 X 射线衍射 (PXRD) 图案和单晶 X 射线衍射 (SCXRD) 技术进行表征。结构解析揭示了一个一维链，它包含一个由两个 mes 配体和两个 Cd(II) 中心组成的 14 元金属配体环。此外，1-D 链通过 C–H…π（金属-配体环）相互作用组装成二维（2-D）超分子网络。1 的荧光寿命显示了良好的平均寿命范围。理论带隙也已通过密度泛函理论 (DFT) 计算得出，这表明 1 可能具有半导体特性。图形概要