氟基萨伦型席夫碱铜镍配合物的结构和表面性质研究

S. Kansız
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摘要

采用慢蒸发法在乙醇中合成了两种新的过渡金属配合物NiL1(1)和CuL2(2),分子式分别为C18H12F6N2NiO4和C18H12CuF6N2O4。利用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射线晶体学分析表明,Ni(II)和Cu(II) salen配合物由双去质子化的四功能螯合配体组成,即L1为NiL1, L2为CuL2,以及相应的金属阳离子Ni+2和Cu+2。NiL1的不对称单元由半个分子组成,而CuL2的不对称单元由一个分子组成。在晶格中,这两种配合物的分子通过C-H··O和C-H··F氢键相互连接。此外,弱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的相互作用,采用了Hirshfeld表面分析,确定了具有氢键潜力的原子位置,并对这些配合物中的相互作用进行了定量评估。分析表明,NiL1和CuL2配合物中的F··H、H··H和O··H接触对Hirshfeld表面的贡献最大。
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INVESTIGATING THE STRUCTURAL AND SURFACE PROPERTIES OF COPPER AND NICKEL COMPLEXES FLUORINE-BASED SALEN TYPE SCHIFF BASES
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.
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