Department of Chemistry, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451, Saudi Arabia.
Coordination Chemistry Research Laboratory, Department of Chemistry, Govt. Science College, Jabalpur 482001, India.
Molecules. 2018 Apr 2;23(4):813. doi: 10.3390/molecules23040813.
We are reporting a novel azo-azomethine ligand, HL and its complexes with Cu(II) and Fe(III) ions. The ligand and its complexes are characterized by various physico-chemical techniques using C,H,N analyses, FT-IR, ¹H-NMR, ESI-MS and UV-Vis studies. TGA analyses reveal complexes are sufficiently stable and undergo two-step degradation processes. The redox behavior of the complexes was evaluated by cyclic voltammetry. Furthermore, the ligand and its complexes were tested for antimicrobial activity against bacterial and fungal strains by determining inhibition zone, minimal inhibitory concentration (MIC) and minimal bactericidal concentration (MBC). The complexes showed moderate antimicrobial activity when tested against Gram +ve and Gram -ve bacterial strains. To obtain insights into the structure of ligand, DFT studies are recorded. The results obtained are quite close to the experimental results. In addition, the energy gap, chemical hardness, softness, electronegativity, electrophilic index and chemical potential were calculated using HOMO, LUMO energy value of ligand.
我们报道了一种新型偶氮-偶氮甲叉配体 HL 及其与 Cu(II)和 Fe(III)离子的配合物。该配体及其配合物通过 C、H、N 分析、FT-IR、¹H-NMR、ESI-MS 和 UV-Vis 研究等各种物理化学技术进行了表征。TGA 分析表明，配合物足够稳定，并经历两步降解过程。通过循环伏安法评估了配合物的氧化还原行为。此外，通过测定抑菌圈、最小抑菌浓度 (MIC) 和最小杀菌浓度 (MBC)，对配体及其配合物进行了抗细菌和真菌菌株的抗菌活性测试。当测试针对革兰氏阳性和革兰氏阴性细菌菌株时，配合物表现出中等的抗菌活性。为了深入了解配体的结构，进行了 DFT 研究。得到的结果与实验结果相当接近。此外，还通过配体的 HOMO、LUMO 能量值计算了能量间隙、化学硬度、软度、电负性、亲电指数和化学势。
