基于对氨基苯乙酮类Schiff碱及其配合物的合成、表征、晶体结构与性能研究
发布时间：2018-09-08 10:50
【摘要】：近年来,以MOFs材料为纽带的大配位化学,越来越受到专家和学者的青睐。由于有机金属配合物较复杂的价键和空间结构,使其在生物医药、材料科学和信息能源等领域都有十分重要的应用。目前,配位化学的研究领域已渗透到许多其它学科,这不仅使得配位化学成为众多化学分支学科的通道和交叉点,而且还深入到了材料、物理、信息和能源等领域,引起了相关工作者的密切关注。为了探索高效且结构新颖的金属配合物,本文合成了多种基于4-氨基苯乙酮类配体,再让其与多种过渡金属盐作用制备金属配合物。通过荧光光谱法对配体及配合物的荧光特性进行了探究,并初步分析了配合物的电化学性质。利用Gaussian 09程序,采用DFT算法,对已合成的配体及配合物进行了量化计算,根据所得的量化计算结果与单晶衍射结果对比,不但对实验结果进行了验证而且对化合物的性质也进行了预测。采用自然挥发和气象扩散法成功制备了6个化合物单晶,分别是HL1-Zn(II)的配合物、HL2-Zn(II)的配合物、HL3-Mn(II)的配合物、HL4-Mn(II)的配合物、HL5、HL6。并通过X-ray确定了它们的化学组成及结构,晶体学数据如下:HL1的化学组成为C17H17Cl N2O2,Mr=316.77,属于单斜晶系,空间群为P2(1)/c,晶胞参数:a=17.789(2)?,b=7.1127(7)?,c=6.2885(6)?,α=90°,β=97.513(10)°,γ=90°,Z=2,V=788.84(14)?3,R1=0.0600,w R2=0.1651。HL2的化学组成为C16H16N2O3,Mr=284.31,属于三斜晶系,空间群为?P1,晶胞参数:a=8.7904(7)?,b=12.0808(11)?,c=14.3999(11)?,α=68.001(8)°,β=81.114(6)°,γ=83.933(7)°,Z=4,V=1398.9(2)?3,R1=0.0666,w R2=0.1884。[Zn(L2)2]的化学组成为C32H30N4Zn O6,Mr=631.97,属于单斜晶系,空间群为C2/c,晶胞参数:a=20.8670?,b=5.4304(3)?,c=25.6526(15)?,α=90°,β=97.485(5)°,γ=90°,Z=4,V=2882.1(3)?3,R1=0.0495,w R2=0.1076。[Cu(L3)2]的化学组成为C40H34 Cu N4O4,Mr=698.25,属于单斜晶系,空间群为?C2/c,晶胞参数:a=27.435(2)?,b=5.8930(3)?,c=20.6752(14)?,α=90°,β=93.969(7)°,γ=90°,Z=4,V=3334.6(4)?3,R1=0.0618,w R2=0.1611。[Zn(L4)2]的化学组成为C34H34Zn N4O6,Mr=659.76,属于三斜晶系,空间群为?P1,晶胞参数:a=13.9414(15)?,b=17.6058(18)?,c=18.278(2)?,α=83.775(2)°,β=76.523(1)°,γ=68.321(1)°,Z=2,V=4053.0(3)?3,R1=0.0700,w R2=0.1727。HL5-Mn(II)的化学组成为C40H42Br4Cl4Mn4O16,Mr=659.764,属于三斜晶系,空间群为?P1,晶胞参数:a=9.3724(9)?,b=11.7876(16)?,c=12.3994(18)?,α=70.650(13)°,β=75.462(10)°,γ=81.085(10)°,Z=1,V=1247.1(3)?3,R1=0.0618,w R2=0.1201。
[Abstract]:In recent years, the large coordination chemistry, which is linked by MOFs materials, has attracted more and more attention from experts and scholars. Organometallic complexes have very important applications in biomedicine, material science and information energy due to their complex valence bond and space structure. At present, the research field of coordination chemistry has penetrated into many other disciplines, which not only makes coordination chemistry become the channel and intersection of many chemical branches, but also goes deep into the fields of materials, physics, information and energy, etc. Has aroused the concerned worker's close attention. In order to explore metal complexes with high efficiency and novel structure, a variety of 4-aminoacetophenone ligands were synthesized and then reacted with a variety of transition metal salts to prepare metal complexes. The fluorescence characteristics of ligands and their complexes were investigated by fluorescence spectroscopy, and the electrochemical properties of the complexes were preliminarily analyzed. Using Gaussian 09 program and DFT algorithm, the synthesized ligands and their complexes were quantified. The results were compared with the results of single crystal diffraction. Not only the experimental results are verified, but also the properties of the compounds are predicted. Six single crystals have been successfully prepared by natural volatilization and meteorological diffusion methods. They are the complexes of HL1-Zn (II) and HL-2-Zn (II), the complex of HL3-Mn (II) and the complex of HL4-Mn (II). 骞堕，
本文编号：2230303
[Abstract]:In recent years, the large coordination chemistry, which is linked by MOFs materials, has attracted more and more attention from experts and scholars. Organometallic complexes have very important applications in biomedicine, material science and information energy due to their complex valence bond and space structure. At present, the research field of coordination chemistry has penetrated into many other disciplines, which not only makes coordination chemistry become the channel and intersection of many chemical branches, but also goes deep into the fields of materials, physics, information and energy, etc. Has aroused the concerned worker's close attention. In order to explore metal complexes with high efficiency and novel structure, a variety of 4-aminoacetophenone ligands were synthesized and then reacted with a variety of transition metal salts to prepare metal complexes. The fluorescence characteristics of ligands and their complexes were investigated by fluorescence spectroscopy, and the electrochemical properties of the complexes were preliminarily analyzed. Using Gaussian 09 program and DFT algorithm, the synthesized ligands and their complexes were quantified. The results were compared with the results of single crystal diffraction. Not only the experimental results are verified, but also the properties of the compounds are predicted. Six single crystals have been successfully prepared by natural volatilization and meteorological diffusion methods. They are the complexes of HL1-Zn (II) and HL-2-Zn (II), the complex of HL3-Mn (II) and the complex of HL4-Mn (II). 骞堕，
本文编号：2230303
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