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首页> 外文期刊>Russian Journal of Coordination Chemistry >Synthesis, Physicochemical, Antimicrobial, and 3D Molecular Modeling Studies of Oxomolybdenym(V) and Dioxomolybdenum(VI) Complexes with a Schiff Base Isonicotinoyl(5-Bromo-2-Hydroxybenzylidene)Hydrazide
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Synthesis, Physicochemical, Antimicrobial, and 3D Molecular Modeling Studies of Oxomolybdenym(V) and Dioxomolybdenum(VI) Complexes with a Schiff Base Isonicotinoyl(5-Bromo-2-Hydroxybenzylidene)Hydrazide

机译:带有席夫碱异烟酰基(5-溴-2-羟基苄叉基)酰肼的含氧钼(V)和二氧钼(VI)配合物的合成,物理化学,抗微生物和3D分子建模研究

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摘要

Synthesis of some new oxomolybdenum(V) and dioxomolybdenum(VI) complexes with a Schiff base isonicotinioyl(5-bromo-2-hydroxybenzyhdene)hydrazide (L) derived from 5-bromosalicylaldehyde and isonicotinoylhydrazide are reported. The complexes have been characterized by elemental analyses, molar conductance, magnetic susceptibility data, IR, UV-Vis, EPR, ~1H NMR, and FAB mass spectral studies. The physicochemical studies and spectral data indicate that L acts as a monovalent tridentate chelating agent. The FAB mass and X-band EPR spectra indicate that the pentavalent Mo in the complex is monomelic in nature. The X-ray diffraction studies of the complex [MoO(L)Cl2] (I) correspond to the orthorhombic crystal lattice with the unit cell dimensions a=16.11,b=12.20, and c = 7.5 A. The electrochemical behavior of the complex was investigated by cyclic voltammetry. All the complexes are found to be neutral with the distorted octahedral geometry. The thermal properties of the complex I were investigated by thermogravimetric techniques. The ligand L and the complexes I and [MoO2(L)Cl] (II) were screened for their in vitro antimicrobial activity. The complexes exhibited higher activity than L. The 3D molecular modeling and analysis for bond length and bond angles have also been carried out for complex I.
机译:报道了一些新的含席夫碱的异氧烟酰基(5-溴-2-羟基苯甲醛)酰肼(L)衍生自5-溴水杨醛和异烟酰肼的一些新的氧钼(V)和二氧钼(VI)配合物的合成。通过元素分析,摩尔电导,磁化率数据,IR,UV-Vis,EPR,〜1H NMR和FAB质谱研究对复合物进行了表征。物理化学研究和光谱数据表明,L充当单价三齿螯合剂。 FAB质谱和X波段EPR光谱表明,络合物中的五价Mo本质上是单体的。配合物[MoO(L)Cl2](I)的X射线衍射研究对应于正交晶格,晶胞尺寸为a = 16.11,b = 12.20,c = 7.5A。配合物的电化学行为用循环伏安法研究。发现所有配合物均具有扭曲的八面体几何形状。通过热重技术研究了配合物I的热性质。筛选了配体L以及配合物I和[MoO2(L)Cl](II)的体外抗菌活性。配合物显示出比L高的活性。还对配合物I进行了键长和键角的3D分子建模和分析。

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