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Synthesis, structures and electronic properties of Co(III) complexes with 2-quinolinecarboxaldehyde thio- and selenosemicarbazone: A combined experimental and theoretical study

机译:Co(III)与2-喹啉甲醛,硫代和亚硒代氨基脲的配合物的合成,结构和电子性质:结合实验和理论研究

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摘要

Cobalt(III) complexes derived from thio-and selenosemicarbazone ligands have been studied to elucidate the nature and consequences of S to Se substitution on their possible biological activity. Solid state structures of cobalt(III) complexes with bis-tridentate coordinated 2-quinolinecarboxaldehyde thio-and selenosemicarbazone were determined by single crystal X-ray diffraction analysis. The complexes were also characterized by spectroscopic methods and cyclic voltammetry. Electronic properties of the complexes were studied using DFT and TD-DFT methods. Finally, evident in vitro antioxidant activity of the complexes was demonstrated.
机译:已经研究了衍生自硫代和亚硒酰胺基配体的钴(III)配合物,以阐明S取代Se的性质及其对可能的生物学活性的影响。通过单晶X射线衍射分析确定了具有双三齿配位的2-喹啉羧酸甲醛硫代和亚硒米卡巴zone的钴(III)配合物的固态结构。还通过光谱法和循环伏安法对复合物进行了表征。使用DFT和TD-DFT方法研究了配合物的电子性质。最后,证明了复合物具有明显的体外抗氧化活性。

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