杂金属配合物[CuBa_2(BTC)_2(H_2O)_4]_n的合成与晶体结构

Synthesis and Crystal Structure of Heterometallic Coordination Polymer [CuBa_2(BTC)_2(H_2O)_4]_n

以1,3,5-均苯三甲酸(H_3BTC)、氯化铜、氯化钡为原料采用水热法合成了配合物[CuBa_2(BTC)_2(H_2O)_4]_n(1)。配合物晶体属三斜晶系,空间群P-1。X-射线单晶衍射结果表明:Cu(Ⅱ)与四个羧基氧原子配位,呈四边形结构;Ba(Ⅱ)与七个羧基氧原子及两个水分子配位,呈三帽接的三角双锥构型。配体全部去质子化且以μ_7-配位模式将CuO_4四边形与BaO_9多面体连接成三维结构。晶胞参数:a=7.437(7),b=8.785(8),c=8.946(8),α=99.860(9)°,β=104.407(9)°,γ=97.021(10)°,V=549.3(9)~3,Z=1。

Under hydrothermai Conditions, the coordination compound, [ CuBa2 （ BTC ）2 （ H2 0 ）4 In （ 1 ）, was synthesized by using 1,3,5-benzene tricarboxylic acid （H3BTC）, CuC12 · 6H20 and BaC12 as raw materials. Crystal data for 1 was as follows： triclinic, space group P-1,a=7.437（7）A,b=8.785（8）A,c=8.946（8）A,α=99.860（9）.β=104.407（9）.γ=97.021（10）°,V=549.3（9）A°,Z=1.Single crystal X-ray diffraction revealed that each Cu （ 11 ） ion coordinated with four oxygen atoms of carboxyl groups, presenting quadrilateral structure. Each Ba （ II ） ion coordinated with seven oxygen atoms of carboxyl groups and two water molecules, displaying a tricapped trigonal prism. The ligand was fully deprotonated, it connected CuO4 quadrilateral and BaO9 polyhedron into a 3D framework in a μ7- mode.