配合物Zn(C_3H_4N_2)_2(C_8H_6O_2Br)_2的水热合成、晶体结构及性质

Hydrothermal Synthesis,Crystal Structure and Property of Complex Zn(C_3H_4N_2)_2(C_8H_6O_2Br)_2

在140℃下,以3-溴-4-甲基苯甲酸和咪唑为配体,通过水热法在甲醇/水混合溶剂中反应24 h合成了锌(Ⅱ)配合物Zn(C3H4N2)2(C8H6O2Br)2。通过元素分析、红外光谱、热重分析和X射线粉末衍射对配合物进行了结构表征,同时用X射线单晶衍射分析确定了其晶体结构。结果表明,其晶体属单斜晶系,空间群为C2/c,晶胞参数:a=13.257(3),b=9.765(2),c=20.494(4),β=107.79(3)°,V=2526.3(9)3,Dc=1.655g·cm-3,μ=4.170mm-1,F(000)=1248,Z=4,最终残差因子R1=0.0552,wR2=0.1378。配合物为单核结构,中心锌(Ⅱ)离子与来自2个3-溴-4-甲基苯甲酸根的2个O原子及2个咪唑分子的2个N原子配位,形成了畸变的四方锥几何体。晶体内,分子间则通过N—H…O氢键作用在ab面形成了层状结构。研究了配合物的发光性质。

A mononuclear zinc(Ⅱ) complex,Zn(C3H4N2)2(C8H6O2Br)2,with 3-bromo-4-methylbenzoic acid and imidazole as ligands was synthesized by hydrothermal method in mixed solvent of methanol and water at140℃.It was characterized by elemental analysis,IR spectra,thermo-gravimetric analysis and powder XRD.It crystallized in monoclinic C2 /c space group with a = 13.257(3) ,b = 9.765(2) ,c = 20.494(4) ,β = 107.79(3) °,V =2526.3(9) 3,Dc =1.655g·cm-3,μ =4.170mm-1,F(000) =1248,Z =4,R1= 0.0552,wR2= 0.1378.The crystal structure shows that zinc(Ⅱ) ion was coordinated with two oxygen atoms from two 3-bromo-4-methylbenzoic acid ligands,two nitrogen atoms from two imidazole molecules,respectively,forming a distorted tetrahedral coordination geometry.Each unit is connected by N-H…O hydrogen bonding interactions to form a twodimensional layered structure.The luminescence behavior of the complex is also reported.