Abstract

Two new transition metal complexes, NiL₁ (1) and CuL₂ (2), with formulations C₁₈H₁₂F₆N₂NiO₄ and C₁₈H₁₂CuF₆N₂O₄, respectively, were synthesized through the slow evaporation method in ethanol. The synthesized complexes were extensively characterized using X-ray diffraction, Fourier transform infrared spectroscopy, and UV-Vis spectroscopy techniques. X-ray crystallographic analysis revealed that the Ni(II) and Cu(II) salen complexes consist of double deprotonated tetrafunctional chelating ligands, namely L₁ for NiL₁ and L₂ for CuL₂, along with the corresponding metal cations, Ni⁺² and Cu⁺². The asymmetric unit of NiL₁ comprises half of the molecule, while the asymmetric unit of CuL₂ consists of a single molecule. In the crystal lattice, the molecules of both complexes are interconnected through C–H⋯O and C–H⋯F hydrogen bonds. Additionally, weak π⋯π interactions contribute to the formation of a layered structure in both complexes. To gain further insight into the intermolecular interactions, Hirshfeld surface analysis was employed, enabling the identification of atom locations with potential for hydrogen bonding and providing a quantitative assessment of these interactions in the complexes. The analysis revealed that the dominant contributions to the Hirshfeld surface originated from F⋯H, H⋯H, and O⋯H contacts in both NiL₁ and CuL₂ complexes.

中文翻译：

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研究铜镍配合物氟基 Salen 型席夫碱的结构和表面性质

摘要

通过缓慢蒸发合成了两种新型过渡金属配合物NiL ₁ ( 1 )和CuL ₂ ( 2 )，其配方分别为C ₁₈ H ₁₂ F ₆ N ₂ NiO ₄和C ₁₈ H ₁₂ CuF ₆ N ₂ O ₄ 。乙醇中的方法。使用 X 射线衍射、傅里叶变换红外光谱和紫外-可见光谱技术对合成的配合物进行了广泛的表征。X射线晶体分析表明，Ni(II)和Cu(II) salen配合物由双去质子化四官能螯合配体组成，即NiL _{1的L 1}和CuL _{2的L 2}，以及相应的金属阳离子Ni ⁺² 。和Cu ⁺²。_{NiL 1}的不对称单元包含一半分子，而CuL ₂的不对称单元由单个分子组成。在晶格中，两种配合物的分子通过 C-H⋯O 和 C-H⋯F 氢键互连。此外，弱的 π⋯π 相互作用有助于在两种配合物中形成层状结构。为了进一步了解分子间相互作用，采用了赫什菲尔德表面分析，能够识别具有氢键潜力的原子位置，并对复合物中的这些相互作用进行定量评估。分析表明，对 Hirshfeld 表面的主要贡献源自 NiL ₁和 CuL ₂配合物中的 F⋯H、H⋯H 和 O⋯H 接触。