Esmaielzadeh Sheida, Zarenezhad Elham
Acta Chim Slov. 2018 Jun;65(2):416-428. doi: 10.17344/acsi.2018.4159.
Two novel copper(II) Schiff base complexes were synthesized and characterized by various physico-chemical and spectroscopic methods, revealing a distorted square planar geometry around the copper atom. The analytical data confirmed the 1:1 metal to ligand stoichiometry of the complexes. B3LYP/(LANL2DZ/6-311G**) density functional theory (DFT) were used to investigate structural and electronic properties of the synthesized compounds in gas phase. The computational results support the conclusion obtained by the experimental studies. Thermodynamic study of complex formation in solution was carried out spectrophotometrically at 25 °C. These compounds were also subjected to study in vitro antibacterial screening against some bacteria. Also, click reaction was investigated for its catalytic properties. The synthesized Schiff base copper complexes catalyzed 1,3-dipolar Huisgen cycloaddition of different functionalized ?-azido alcohols and alkynes in the presence of ascorbic acid in a solution of THF/H2O (2:1, V/V) at room temperature.
合成了两种新型铜（II）席夫碱配合物，并通过各种物理化学和光谱方法对其进行了表征，结果表明铜原子周围的几何形状为扭曲的平面正方形。分析数据证实了配合物中金属与配体的化学计量比为1:1。采用B3LYP/（LANL2DZ/6-311G**）密度泛函理论（DFT）研究了合成化合物在气相中的结构和电子性质。计算结果支持了实验研究得出的结论。在25℃下，通过分光光度法对溶液中配合物形成的热力学进行了研究。还对这些化合物进行了针对某些细菌的体外抗菌筛选研究。此外，还研究了点击反应的催化性能。在室温下，在THF/H2O（2:1，V/V）溶液中，合成的席夫碱铜配合物在抗坏血酸存在下催化不同功能化的α-叠氮醇与炔烃的1,3-偶极休斯根环加成反应。
