本文選題：配位化合物 + 氮雜環(huán)配體��； 參考：《牡丹江師范學院》2017年碩士論文

【摘要】：近年來,基于含氮雜環(huán)配體的金屬配合物因為具備有趣的結構多樣性和一系列潛在的生物活性和磁學性質,受到各個領域的廣泛關注。本文選用兩種不同氮雜環(huán)配體分別采用回流法和溶劑法合成了2種配合物。用元素分析、單晶X-衍射、紅外光譜、熱重分析等手段對所合成的配合物進行表征,測試了所合成氮雜環(huán)金屬配合物的生物活性,研究了配合物的磁性質。本論文的主要研究內容包含以下幾個方面:(1)采用回流法,向吡啶-2,3-二羧酸和醋酸鋅的混合溶液中加入2-甲基咪唑,使其作為配體合成相應的金屬配合物[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、單晶X-衍射、紅外光譜、熱重分析等手段對所合成的配合物進行表征,結果表明Zn(Ⅱ)原子為五配位的四方錐構型,配合物1中Zn(Ⅱ)離子由吡啶-2,3-二羧酸配體橋聯(lián)形成一維長鏈,配體之間存在著相互作用,使2-甲基咪唑作為端基配體懸掛在由吡啶-2,3-二羧酸橋聯(lián)配體與金屬中心形成的五元螯合環(huán)平面上。(2)采用溶劑熱法,以吡啶-2,3-二羧酸、硝酸鈷等為原料,合成含氮雜環(huán)金屬配合物[Co(2,3-PDC)(H_2O)_2]_n(2)。用元素分析、單晶X-衍射、紅外光譜、熱重分析等手段對所合成的配合物進行表征,結果表明中心Co(Ⅱ)原子的六配位模式使其形成一個扭曲的八面體構型,配合物2中的兩個平行配體以首尾相接的形式與一對相鄰Co(Ⅱ)原子相連,從而形成一條邊緣稠環(huán)鏈。(3)在自然條件下,對氮雜環(huán)配合物1和2及合成所需的配體、金屬鹽溶液分別進行平皿實驗、去胚乳小麥幼苗實驗、溫室盆栽實驗。生物活性測試表明配合物1和2均對部分植物的生長具備一定的抑制活性。(4)對合成和具有磁性的配合物2進行密度泛函理論(DFT)研究,對其磁耦合常數(shù)Jab、分子磁軌道、自旋密度等性質進行分析,研究結果可以預測出雙核Co(Ⅱ)之間有著強烈的鐵磁作用。
[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，

本文編號：1930158