Synthesis, Crystal Structure, Luminescence Property and DFT Calculations of a New Coordination Compound Containing 8-Aminoquinoline Ligand

A new luminescent compound, Zn(8-aminoql)2(SCN)2 (1, 8-aminoql = 8-amino quinoline), has been synthesized and its structure was characterized by IR, elemental analysis and X-ray single-crystal diffraction. Compound 1 belongs to the orthorhombic system, space group Pbca with a = 8.503(2), b = 14.427(4), c = 31.922(8), V = 3916.0(18)3 , Z = 8, C20H16N6S2Zn, Mr = 469.88, D c = 1.594 Mg/m3 , μ = 1.488 mm-1 , F(000) = 1920, T = 296(2) K, the final R = 0.0293 and wR = 0.0645 for all 2763 observed reflections (Ⅰ > 2σ(Ⅰ)). Compound 1 displays a 3D supramolecular architecture formed by N H···S hydrogen bonds and π···π aromatic packing interactions. Photoluminescence studies reveal that it displays obvious fluorescent emission band (λ ex = 320 nm) at 533 nm in the solid state at room temperature. The emission bands possess a broad asymmetric feature, which can be assigned to ligand-to-ligand charge transfer transitions based on DFT calculations.     

基于PbI2的有机-无机杂化化合物的合成和晶体结构

合成得到了2个新的有机-无机杂化化合物{（4-CH₃-Bz-4-Ph-Py）[PbI₃]}_n（1）（其中4-CH₃-Bz-4-Ph-Py是4-甲基苄基-4-苯基吡啶阳离子）和{（4-CF₃-Bz-4-Ph-Py）[PbI₃]}_n（2）（其中4-CF₃-Bz-4-Ph-Py是4-三氟甲基苄基-4-苯基吡啶阳离子）。对化合物1和2进行了元素分析、粉末X射线衍射等表征,并利用X射线单晶衍射测定了它们的单晶结构。化合物1属于正交晶系,P2₁2₁2空间群;化合物2与1同构。结构研究表明,化合物1和2中,铅碘八面体通过共边连接方式,形成[Pb₃I₉]_n三链,有机阳离子填充在无机碘化铅链空隙中。     

以4,4-联苯二甲酸和咪唑基化合物为配体的钴配合物的合成和晶体结构

以4,4-联苯二甲酸(H₂BPDC)和4,4-二咪唑基二苯醚(BIDPE)为原料,与硝酸钴在不同温度下反应,得到2个结构不同的配位聚合物{[Co₂(BPDC)₂(BIDPE)₂(H₂O)]·2H₂O}_n(1)和{[Co(BPDC)(BIDPE)]·H₂O}_n(2)。对它们进行了元素分析、红外光谱分析,并利用X射线衍射测定了它们的单晶结构。配合物1属于单斜晶系,C2/c空间群,a=1.45602(15) nm, b=1.55751(16) nm, c=2.5226(3) nm, β=90.8340(10)°, V=5.7202(10) nm³, Z=4, M_r=1256.98, D_c=1.460 g·cm^-3, μ=0.655, F(000)=2592, R₁=0.0367, ωR₂=0.0875(I>2σ(I))。配合物2属于三斜晶系,P1空间群,a=1.06192(10) nm, b=1.09851(11) nm, c=1.32451(13) nm, α=112.7250(10) nm, β=92.1120(10)°, γ=96.5740(10)°, V=1.4102(2) nm³, Z=2, M_r=619.48, D_c=1.459 g·cm^-3, μ=0.662, F(000)=638, R₁=0.0474, ωR₂=0.1165(I>2σ(I))。单晶结构分析显示,配合物1拥有一维链状结构,而配合物2具有二维两重贯穿结构,并表现出聚轮烷的结构特征。结果说明了反应温度在配合物组装过程中起着非常重要的作用。     

Synthesis, Crystal Structure, and Luminescent Properties of a Cadmium(II) Coordination Polymer Based on Glutaric Acid and Triazole

A new coordination polymer, [Cd₇(μ ₃-O)₂(glut)₂(Hglut)₂(trz)₄]_n (1) (H₂glut = glutaric acid and Htrz = 1,2,4-triazole), has been synthesized under hydrothermal conditions, and further characterized by elemental analysis, IR, thermogravimetric analysis and single-crystal X-ray diffraction. Complex 1 features a fairly complicated three-dimensional (3D) (3,3,6,10)-connected framework constructed from two-dimensional (2D) infinite [Cd₇(μ ₃-O)₂(glut)₄(Hglut)₂]_n layers and [Cd(trz)₄]^2? units. Moreover, the thermal stability and photoluminescent properties of 1 were also investigated.     

Synthesis, Crystal Structure, Luminescence, and Magnetic Properties of a New 4d–4f Heterometallic Architecture Based on Pyridine-3,4-Dicarboxylic Acid

A 4d–4f heterometallic coordination polymer, [AgEu(pydc)₂]·2H₂O (1) (H₂pydc = pyridine-3,4-dicarboxylic acid), has been synthesized under hydrothermal conditions, and further characterized by elemental analysis, IR, thermogravimetric analysis and single-crystal X-ray diffraction. Complex 1 features a three-dimensional framework containing one-dimensional (1D) channels occupied by free water molecules, which is constructed from 1D inorganic heterometallic chains and linear pydc linkers. After removal of the water molecules from complex 1, the remaining material has high thermal stability. Moreover, the photoluminescence, and magnetic properties of 1 were also investigated.     

四种新型柔性吡啶基配合物的合成、结构及配体构象与配合物结构的关系

合成了柔性配体3-吡啶甲酸-1,2-乙二酯(3-pyridinecarboxylic acid 1,2-ethanediyl ester,pcaede),并将其分别与Co盐和Hg盐进行组装,得到4个新配合物[Co(pcaede)2Cl2.2CH3CN.H2O]n(1),[Co(pcae-de)2Cl2.H2O]n(2),[Hg(pcaede)I2]n(3)和[Hg(pcaede)Br2]n(4),对其进行了元素分析、红外光谱及X射线单晶结构分析.配合物1和2为含有孔道的一维链状结构,配合物3是1D内消旋螺旋链,配合物4则是锯齿形1D链状结构.研究结果显示,孔道中填充的溶剂分子和平衡阴离子对配合物的组装有显著的影响.此外对4个配合物中配体的构象进行了理论计算.