Abstract In this work, a 8-hydroxyquinoline derivative, named 8-hydroxyquinoline-2-carboxaldehyde 2-furoyl hydrazone (HQFUH), was obtained. The respective compound was successfully synthesized as well as its respective Zn(II) coordination compound. Both compounds were structurally characterized, by experimental and theoretical IR and Raman spectra, XRD. Single crystal XRD showed that Zn(II) adopts a tetrahedral geometry, in which the neutral chelating ligand coordinates bidentaded by two N-atoms and the neutrality charge is achieved by two coordinated chloride ions. Topological analysis using Quantum Theory of Atoms in Molecules (QTAIM) was performed to investigate ligand interaction through O-atoms. This investigation is important regarding the determination of complex formation constant. The crystal structures of the ligand and complex are arranged according to an orthorhombic system with P212121 and Aea2 space groups, respectively. Ligand displays a E configuration around to C10 = N2 bond, while after the coordination of metal, a Z configuration is observed. Besides molecular structure description of complex, the intermolecular environment was analyzed by Hirshfeld Surface.

中文翻译：

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与 Zn(II) 配位的 8-羟基喹啉衍生物的合成和结构表征

摘要 在这项工作中，获得了一种8-羟基喹啉衍生物，命名为8-羟基喹啉-2-甲醛2-呋喃酰腙（HQFUH）。成功合成了相应的化合物及其相应的 Zn(II) 配位化合物。通过实验和理论红外光谱和拉曼光谱、XRD 对两种化合物进行结构表征。单晶 XRD 显示 Zn(II) 采用四面体几何结构，其中中性螯合配体由两个 N 原子配位，中性电荷由两个配位的氯离子实现。使用分子中原子量子理论 (QTAIM) 进行拓扑分析以研究通过 O 原子的配体相互作用。这项研究对于确定复杂的形成常数很重要。配体和配合物的晶体结构分别按照具有 P212121 和 Aea2 空间群的正交系统排列。配体在 C10 = N2 键附近显示 E 构型，而在金属配位后，观察到 Z 构型。除了复合物的分子结构描述外，还通过Hirshfeld Surface分析了分子间环境。