二维网状结构配合物[Ni(phth)_2(H_2O)_2]的水热合成和晶体结构

Hydrothermal Synthesis and Crystal Structure of Two-dimensional Complex [Ni(phth)_2(H_2O)_2]

采用水热法,通过phth(phthalic acid)与Ni2+离子反应,合成了标题配合物[Ni(phth)2(H2O)2]。该配合物的晶体属单斜晶系,空间群为P2(1)/c,晶胞参数:a=0.839 70(1)nm,b=1.444 35(2)nm,c=0.711 47(9)nm;β=112.226 0(1)°,V=0.798 77(2)nm3,Z=4,μ(MoKα)=12.74cm-1,F(000)=436,最终偏离因子R1=0.021 2,wR2=0.060 0[I>2σ(I)]。在配合物中,中心镍离子与两个phth的各一个羧基氧原子,以及二个水分子的氧原子配位,形成四配位的平面正方形结构。晶体中配合单元通过分子间氢键和芳环之间的π-π堆积,形成了二维网状结构。

The novel complex [Ni（phth）2 （H2O）2 ] was obtained by using hydrothermal synthesis with phthalic acid and nickel （Ⅱ ） . The crystal structure of the complex has been determined by X-ray diffraction single crystal structure analysis. The crystal belong to monoclinic system,space group P2（1）/c. The cell parameters are： a=0. 839 70（1） nm, b=1. 444 35（2）nm, c= 0.711 47（9） nm;β= 112.226 0（1）°, V=0.798 77（2） nm^3, Z=4, μ（MoKα）=12.74 cm^-1,F（000）= 436,R1= 0.021 2, ωR2 = 0. 060 0[1〉2σ（I）]. The crystal structure shows that the nickel （II） ion is coordinated with four oxygen atoms from two phthalic acid molecule and two water molecules, forming a four-coordination square plane structuye. Two-dimensional network is formed through intermolecular hydrogen bonds of O-H … O and π-π packing efaction between phthalic acid. CCDC ： 654230.