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首页> 外文期刊>Journal of the Indian Chemical Society >Synthesis, spectral, thermal, biological and 3D molecular modeling studies of oxidomolyhdenum(V) and dioxidomolybdenum(VI) complexes derived from 2,4-dihydroxyacetophenone isonicotinoylhydrazone
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Synthesis, spectral, thermal, biological and 3D molecular modeling studies of oxidomolyhdenum(V) and dioxidomolybdenum(VI) complexes derived from 2,4-dihydroxyacetophenone isonicotinoylhydrazone

机译:合成,光谱,热,生物和3D分子建模研究的氧化钼(V)和二氧化钼(VI)配合物衍生自2,4-二羟基苯乙酮异烟酰yl

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摘要

Synthesis of some novel oxidomolybdenum(V) and dioxidomolybdenum(VI) complexes with a Schiff base, (2,4-dihydroxy acetophenoneisonicotinoylhydrazone) (DAIH), derived from 2,4-dihydroxy acetophenone 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 physico-chemical studies and spectral data indicate that the ligand (DAIH) acts as a monovalent tridentate chelating agent. The FAB mass and X-band EPR spectra indicate that the pentavalent Mo in the complex is monomeric in nature. The X-ray diffraction studies of the complex [MoO(DAIH)Cl2] correspond to orthorhombic crystal lattice with unit cell dimensions a = 16.64 A, b = 13.25 A and c = 9.56 A. All the complexes are found to be neutral with distorted octahedral geometry. The thermal behaviour of the complex [MoO(DAIH)Cl2] was investigated by thermogravimetric techniques. The ligand (DAIH) and its two complexes [MoO(DAIH)Cl2], [MoO2(DAIH)Cl] were screened for their in vitro antibacterial activity. The complexes exhibited higher activity than the ligand (DAIH). The 3D molecular modeling and analysis for bond length and bond angles have also been carried out for one of the representative compounds, [MoO(DAIH)Cl2].
机译:报道了一些新的具有席夫碱的氧化钼(V)和双氧化钼(VI)配合物(2,4-二羟基苯乙酮异烟酸酯基hydr)(DAIH)的合成,该化合物衍生自2,4-二羟基苯乙酮和异烟酰酰肼。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,配体(DAIH)充当单价三齿螯合剂。 FAB质谱和X波段EPR谱表明,络合物中的五价Mo本质上是单体的。配合物[MoO(DAIH)Cl2]的X射线衍射研究对应于晶胞尺寸为a = 16.64 A,b = 13.25 A和c = 9.56 A的正交晶格。发现所有配合物均为中性且扭曲。八面体几何。通过热重技术研究了复合物[MoO(DAIH)Cl2]的热行为。筛选了配体(DAIH)及其两个配合物[MoO(DAIH)Cl2],[MoO2(DAIH)Cl]的体外抗菌活性。该复合物表现出比配体(DAIH)更高的活性。还对代表性化合物之一[MoO(DAIH)Cl2]进行了键长和键角的3D分子建模和分析。

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