【摘要】：近年來,以MOFs材料為紐帶的大配位化學,越來越受到專家和學者的青睞。由于有機金屬配合物較復雜的價鍵和空間結構,使其在生物醫(yī)藥、材料科學和信息能源等領域都有十分重要的應用。目前,配位化學的研究領域已滲透到許多其它學科,這不僅使得配位化學成為眾多化學分支學科的通道和交叉點,而且還深入到了材料、物理、信息和能源等領域,引起了相關工作者的密切關注。為了探索高效且結構新穎的金屬配合物,本文合成了多種基于4-氨基苯乙酮類配體,再讓其與多種過渡金屬鹽作用制備金屬配合物。通過熒光光譜法對配體及配合物的熒光特性進行了探究,并初步分析了配合物的電化學性質。利用Gaussian 09程序,采用DFT算法,對已合成的配體及配合物進行了量化計算,根據所得的量化計算結果與單晶衍射結果對比,不但對實驗結果進行了驗證而且對化合物的性質也進行了預測。采用自然揮發(fā)和氣象擴散法成功制備了6個化合物單晶,分別是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。并通過X-ray確定了它們的化學組成及結構,晶體學數據如下:HL1的化學組成為C17H17Cl N2O2,Mr=316.77,屬于單斜晶系,空間群為P2(1)/c,晶胞參數: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的化學組成為C16H16N2O3,Mr=284.31,屬于三斜晶系,空間群為?P1,晶胞參數: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]的化學組成為C32H30N4Zn O6,Mr=631.97,屬于單斜晶系,空間群為C2/c,晶胞參數: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]的化學組成為C40H34 Cu N4O4,Mr=698.25,屬于單斜晶系,空間群為?C2/c,晶胞參數: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]的化學組成為C34H34Zn N4O6,Mr=659.76,屬于三斜晶系,空間群為?P1,晶胞參數: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)的化學組成為C40H42Br4Cl4Mn4O16,Mr=659.764,屬于三斜晶系,空間群為?P1,晶胞參數: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). 騫墮，

本文編號：2230303