One new AgI complex, [Ag(apca)(H2O)]n (Hapca = 3-aminopyrazine-2-carboxylic acid), has been prepared and structurally and spectroscopically characterized. The title complex (1) crystallizes in the monoclinic system P21/c (No. 14) with a = 14.3307(9), b = 14.9296(9), c = 6.5824(4)A, β = 92.7430(10)o, V = 1406.70(15) A3, Z = 8. Mr = 264.00, Dc= 2.493 g/cm3, μ = 2.831 mm-1, F(000) = 1024, the final R = 0.0266 and wR = 0.0788 for 3107 observed reflections with I 〉 2σ(I). Its structure features a three-dimensional (3D) network composed of one-dimensional (1D) [Ag(apca)(H2O)]n ribbonsinterconnected via weak hydrogen bonds and π-π interactions. Emission spectra of the title complex in the solid state at room temperature give strong green luminescence.
A new intermetallic compound, SmCuT.vslns.27, has been synthesized by solid-state reaction of the corresponding pure elements at high temperature, and structurally characterized by single-crystal X-ray diffraction study. SmCu7.731n3.27 crystallizes in tetragonal space group P4/mbm with a = 8.6213(4), c = 10.2538(9), V= 762.13(8) A3, Z = 4, M,. = 1018.90, Dc= 8.880 g/cm3,μ = 38.244 mm-1, F(000) = 1789, and the final R = 0.0374 and wR = 0.0836 for 514 observed reflections with I 〉 2σ(I). The structure of SmCu7.69In3.31 belongs to a new structure type and features a three-dimensional (3D) [Cusln2M4] (M = Cu/In) framework composed of [CusinnM4] clusters interconnected via sharing In atoms as well as Cu-ln and In-In bonds. The Sm atoms are located in the one-dimensional (1 D) tunnels along the c-axis. The structural relationship of the title compound with other similar Sm-Cu-In phases was also studied. Band structure calculations based on Density Functional Theory (DFT) method indicate that SmCuT.69In3.31 is metallic.
采用溶剂热方法合成了3个多元硫属化合物[Mn(1,2-dap)2(H2O)]2(μ-Sn2Q6)(Q=S(1)和Se(2))和[Mn(tren)]2(μ-Sn2S6)(3),用X-射线单晶衍射测定了化合物的结构,并通过红外光谱、紫外-可见漫反射光谱对其进行了表征。单晶结构解析表明,化合物1和2都属于正交晶系,Pccn空间群(No.56),晶体结构是由[Mn(1,2-dap)2(H2O)]2+配合物阳离子和[Sn2Q6]4-二聚体通过Mn-Q键连接而成的[Mn(1,2-dap)2(H2O)]2(μ-Sn2Q6)低聚体,相邻的低聚体之间通过氢键相连形成三维结构。化合物3属于三斜晶系,晶体结构是由[Mn(tren)]2(μ-Sn2S6)单元通过氢键连接而成的二维结构。紫外-可见漫反射光谱结果显示化合物1,2和3的带隙分别为2.5,2.1,2.4 e V,属于半导体材料。
EuMg6Sn3.67 has been synthesized by reacting the mixture of the corresponding pure elements at high temperature, and structurally characterized by single-crystal X-ray diffraction study. EuMg6Sn3.67 crystallizes in hexagonal space group P63/m (No. 176) with a = 11.7259(4), c = 4.5507(2) A, V= 541.88(4)A3 Z = 2, Mr = 734.60, Dc= 4.502 g/cm3, μ = 14.348 mm-1, F(000) = 638, the final R = 0.0128 and wR = 0.0378 for 464 observed reflections with 1 〉 2σ-(1). EuMg6Sn3.67 is closely related to the Ba2Mg2GeT.33 structure type and features a three-dimensional [Mg6Sn3.67] framework with one-dimensional hexagonal tunnels along the c-axis occupied by the Eu atoms. Electronic structure calculation indicates that the title compound is metallic.
A new tetragonal phase of LunSnl0 is obtained from high temperature reaction of the pure elements in a welded tantalum tube. Its crystal structure was established by single-crystal X-ray diffraction. Lu11Sn10 crystallizes in the tetragonal space group 14/mmm (No. 139) with a = 11.2953(18), c = 16.424(4) A, V= 2095.5(7)A3, Z= 4, Mr = 3111.57, Dc = 9.863 g/cm^3, p = 62.897 -1 mm , F(000) = 5124, and the final R = 0.0348 and wR = 0.0894 for 706 observed reflections with 1 〉 2σ(I). The structure of LullSnl0 may be derived from the HonGel0 structural type. It is isostructural with DyllSn10, featuring a three-dimensional (3D) framework composed of [Sn4] squares and [Sn2] dimers interlinked via Sn-Sn bonds with two types of one-dimensional (1D) tunnels along the c-axis, which are occupied by isolated Sn atoms, [Sn2] dimers and all the Lu atoms Band structure calculation based on density functional theory method indicates that LUllSn10 is metallic.