基于含氮杂环配体的金属配合物的合成及性质研究

发布时间：2018-05-24 18:49

  本文选题：配位化合物 + 氮杂环配体　； 参考：《牡丹江师范学院》2017年硕士论文

【摘要】：近年来,基于含氮杂环配体的金属配合物因为具备有趣的结构多样性和一系列潜在的生物活性和磁学性质,受到各个领域的广泛关注。本文选用两种不同氮杂环配体分别采用回流法和溶剂法合成了2种配合物。用元素分析、单晶X-衍射、红外光谱、热重分析等手段对所合成的配合物进行表征,测试了所合成氮杂环金属配合物的生物活性,研究了配合物的磁性质。本论文的主要研究内容包含以下几个方面:(1)采用回流法,向吡啶-2,3-二羧酸和醋酸锌的混合溶液中加入2-甲基咪唑,使其作为配体合成相应的金属配合物[Zn(2,3-PDC)(DMIM)·H_2O]_n(1)(2,3-PDC=吡啶-2,3-二羧酸,DMIM=2-甲基咪唑)。利用元素分析、单晶X-衍射、红外光谱、热重分析等手段对所合成的配合物进行表征,结果表明Zn(Ⅱ)原子为五配位的四方锥构型,配合物1中Zn(Ⅱ)离子由吡啶-2,3-二羧酸配体桥联形成一维长链,配体之间存在着相互作用,使2-甲基咪唑作为端基配体悬挂在由吡啶-2,3-二羧酸桥联配体与金属中心形成的五元螯合环平面上。(2)采用溶剂热法,以吡啶-2,3-二羧酸、硝酸钴等为原料,合成含氮杂环金属配合物[Co(2,3-PDC)(H_2O)_2]_n(2)。用元素分析、单晶X-衍射、红外光谱、热重分析等手段对所合成的配合物进行表征,结果表明中心Co(Ⅱ)原子的六配位模式使其形成一个扭曲的八面体构型,配合物2中的两个平行配体以首尾相接的形式与一对相邻Co(Ⅱ)原子相连,从而形成一条边缘稠环链。(3)在自然条件下,对氮杂环配合物1和2及合成所需的配体、金属盐溶液分别进行平皿实验、去胚乳小麦幼苗实验、温室盆栽实验。生物活性测试表明配合物1和2均对部分植物的生长具备一定的抑制活性。(4)对合成和具有磁性的配合物2进行密度泛函理论(DFT)研究,对其磁耦合常数Jab、分子磁轨道、自旋密度等性质进行分析,研究结果可以预测出双核Co(Ⅱ)之间有着强烈的铁磁作用。
[Abstract]:In recent years, metal complexes based on nitrogen-containing heterocyclic ligands have attracted wide attention due to their interesting structural diversity and a series of potential biological activities and magnetic properties. In this paper, two kinds of complexes were synthesized by reflux method and solvent method using two different nitrogen heterocyclic ligands. The synthesized complexes were characterized by elemental analysis, single crystal X-ray diffraction, infrared spectroscopy and thermogravimetric analysis. The biological activities of the complexes were tested and the magnetic properties of the complexes were studied. The main contents of this thesis include the following aspects: 1) adding 2-methylimidazole into the mixed solution of pyridine-2ka-3-dicarboxylic acid and zinc acetate by reflux method. As a ligand, the corresponding metal complex [ZnN2O3-PDCDMIMH2O] was synthesized as a ligand, and the corresponding metal complex [ZnO2O3-PDC3-PDC = pyridyl -2nc-3-dicarboxylic acid (DMIM) 2-methylimidazolium] was synthesized. The complexes were characterized by elemental analysis, single crystal X-ray diffraction, infrared spectroscopy and thermogravimetric analysis. The results show that the Zn (鈪，

本文编号：1930158