二水合·吡啶二甲酸合铜(II)的结构表征

Synthesis and structure characterization of tris-[diaqua-(pyridine-2,6-dicarboxylato)copper(II)]

目的 :研究含氮、氧三齿配体的配位性能和金属配合物结构 ,合成三齿配体吡啶二甲酸与铜 (II)和水的配合物 { [Cu(pydca) (H2 O) ]3 } (pydcaH2 :吡啶二甲酸 ) .方法 :采用X射线衍射法对配合物进行了晶体结构的测定 .结果 :结构简式C2 1H2 1Cu3 N3 O18,相对分子质量Mr=794 0 3,三斜晶系 ,空间群为P1,晶胞参数a =4 72 0 0 (10 ) A(1 A =10- 10 m) ,b =10 35 5 (4) A ,c =2 6 837(11) A ;α=98 190 (7)° ,β =93 2 90 (5 )° ,γ =94 2 5 0 (10 )° ,Z =2 ,V =12 91 7(8) A3 ,F(0 0 0 ) =798,Dc=2 0 4 2mg/m3 ,μ =2 5 4 5mm- 1.结果 :晶体分子中含 3个类似结构的配合物单元 .结论 :每单元中心都以CuNO4 五配位方式形成扭曲的四方锥构型 .

Aim:To study the structures and properties of complexes formed by N, O, O'-tridentate ligands and transition metals. Methods: The titled complex was obtained by reaction of copper nitrate with Pyridine-2,6-dicarboxylic acid in alcohol solution, and its blue single crystal was prepared in organic solvent THF. Its structure was determined by X-ray crystallography. Results: The crystal data for the complex were: triclinic, space group P1, M r=794.03 for C 21 H 21 Cu 3N 3O 18 , a=4.720 0(10) AAU, b=10.355(4) AAU, c=26.837(11) AAU; α=98.190(7)°, β=93.290(5)°, γ=94.250(10)°, Z=2, V=1291.7(8) AAU 3, F(000)=798, D c=2.042 mg/m 3, μ=2.545 mm -1 . Conclusion:The crystal consists of three structural units, in each of which the copper(II) ion is coordinated by one nitrogen and two oxygen atoms from pyridine-2,6-dicarboxylate ligand and the other two oxygen atoms from water molecules, with a square-pyramidal coordination environment.