A new nanostructured cadmium complex containing a tridentate Schiff base ligand was sonochemically synthesized and characterized by XRPD, FT/IR, NMR, and single crystal X-ray crystallography. Structural data showed that cadmium(II) ion is surrounded by three nitrogen atoms of Schiff base ligand and two iodide anions. The crystal packing was contained the intermolecular interactions such as C–H···O, C–H···I and π···π interactions organizing the self-assembly process. Hirshfeld surfaces and corresponding fingerprint plots have been used for investigation of the nature and proportion of interactions in the crystal packing. FT/IR, NMR and XRD data were in agreement with the X-ray structure and confirm the phase purity of the prepared sample. The molecular structure of the complex was optimized by density functional theory (DFT) calculation at the B3LYP/LANL2DZ level of theory and the results were compared with experimental ones. For more concise study of structure and spectral aspects of the complex, natural bond orbital (NBO) analysis and time-dependent density functional theory (TD-DFT) have been also performed. Thermal stability of the cadmium iodide complex was investigated by thermogravimetric analysis (TGA). Finally, cadmium oxide nanoparticles was prepared by direct calcination of CdLI₂ complex as a new precursor.

超声化学合成了一种新的含有三齿席夫碱配体的纳米结构镉配合物，并通过XRPD，FT / IR，NMR和单晶X射线晶体学对其进行了表征。结构数据表明，镉（II）离子被席夫碱配体的三个氮原子和两个碘化物阴离子包围。晶体堆积包含分子间相互作用，例如C–H···O，CH–H···I和π···π相互作用，从而组织了自组装过程。Hirshfeld表面和相应的指纹图已用于研究晶体堆积中相互作用的性质和比例。FT / IR，NMR和XRD数据与X射线结构一致，证实了所制备样品的相纯度。在理论上以B3LYP / LANL2DZ水平通过密度泛函理论（DFT）计算优化了配合物的分子结构，并将结果与​​实验结果进行了比较。为了更简单地研究复合物的结构和光谱方面，还进行了自然键轨道（NBO）分析和时变密度泛函理论（TD-DFT）。通过热重分析（TGA）研究了碘化镉配合物的热稳定性。最后，通过直接煅烧CdLI制备了氧化镉纳米颗粒 通过热重分析（TGA）研究了碘化镉配合物的热稳定性。最后，通过直接煅烧CdLI制备了氧化镉纳米颗粒 通过热重分析（TGA）研究了碘化镉配合物的热稳定性。最后，通过直接煅烧CdLI制备了氧化镉纳米颗粒₂络合物作为新的前体。