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首页> 外文期刊>Journal of Molecular Structure >New complexes of manganese (II) and copper (II) derived from the two new furopyran-3, 4-dione ligands: Synthesis, spectral characterization, ESR, DFT studies and evaluation of antimicrobial activity
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New complexes of manganese (II) and copper (II) derived from the two new furopyran-3, 4-dione ligands: Synthesis, spectral characterization, ESR, DFT studies and evaluation of antimicrobial activity

机译：锰（II）的新络合物和铜（II）衍生自两个新的Furopyran-3,4-二酮配体：合成，光谱表征，ESR，DFT研究和抗菌活性的评估

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A total of four new metal complex derivatives of two new ligands 2-(hydroxy(phenyl)-6-methyl-2H-furo [3,2-c]pyran-3,4-dione (L-1) and 2-(hydroxyl (2-hydroxyphenyl) -6-methyl-2H-furo [3,2-c]pyran-3,4-dione (L-2) with the metal ions Mn(II) and Cu(II) have been successfully prepared in alcoholic medium. The complexes obtained are investigated by spectral studies with the use of FT-IR and UV-vis techniques, ESR and magnetic measurements. The IR spectra suggest that the oxygen atoms of the two ligands are engaged in the bond with the central metal. The electronic spectra of the complexes and their magnetic moments provide information about geometries. The molar conductance measurements showed that the complexes are non-electrolytes. Theoretical calculations invoking geometry optimization and molecular orbital description HOMO and LUMO are done using DFT density functional theory. The experimental results and the calculated structural parameters, bond distances and angles, revealed a distorted octahedral geometries around the manganese and copper center through the oxygen of the furan ring for the synthesized complexes ([M(L)(2)(H2O)(2)]nH(2)O; M: metal; L: ligand). The antimicrobial activity of the ligands and their complexes was evaluated in vitro against different bacteria and fungi using agar diffusion method. The ligands and their complexes of manganese (II) and copper (II) exhibited a strong antifungal activity. Copper and manganese complexes have different antibacterial properties against bacteria. The ligand L-1 and there complexes were found to be more active against Gram-positive than Gram-negative bacteria. (C) 2019 Elsevier B.V. All rights reserved.
机译：共有四种新的金属复合衍生物的两个新配体2-（羟基（苯基）-6-甲基-2H-Furo [3,2-C]吡喃-3,4-二酮（L-1）和2-（已成功制备羟基（2-羟基苯基）-6-甲基-2H-FURO [3,2-C]吡喃-3,4-二酮（L-2），已成功制备金属离子Mn（II）和Cu（II）在酒精培养基中。通过使用FT-IR和UV-VIS技术，ESR和磁性测量来研究获得的络合物。IR光谱表明两个配体的氧原子与中央有关金属。复合物的电子光谱及其磁性时刻提供了有关几何形状的信息。摩尔电导测量结果表明，配合物是非电解质。使用DFT密度函数理论进行理论计算调用几何优化和分子轨道描述HOMO和LUMO。实验结果和计算的结构参数，粘合距离和角度，显示出扭曲通过呋喃环的氧气环绕锰和铜中心的Ed八面体几何形状用于合成配合物的氧气（[M（1）（2）（2）（2）（2））NH（2）O; M：金属; L：配体）。使用琼脂扩散法在体外评估配体及其复合物的抗微生物活性。配体及其锰（II）和铜（II）的配合物表现出强烈的抗真菌活性。铜和锰配合物对细菌具有不同的抗菌性能。发现配体L-1和有复合物对革兰氏阳性比革兰氏阴性细菌更活跃。 （c）2019 Elsevier B.v.保留所有权利。

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