新型配合物Zn(p-FBA)_2(phen)(H_2O)的合成及其晶体结构

Synthesis and Crystal Structure of a Novel Complex [Zn(p-FBA)_2(phen)(H_2O)]

以醋酸锌、对氟苯甲酸(p-FBA)和邻菲啰啉(phen)为原料,在33%甲醇中通过水热反应合成了新型的单核锌(Ⅱ)配合物Zn(p-FBA)2(phen)(H2O)(1),其结构经UV-Vis,IR,元素分析,热重分析和X-射线单晶衍射表征。1具有较好的热稳定性。1属于三斜晶系,P-1空间群,晶胞参数a=7.893(7),b=10.412(9),c=14.473(13),α=104.504(15)°,β=97.780(17)°,γ=96.431(15)°,V=1 127.6(17)3,Z=2,Dc=1.596 g.cm-3,R1=0.083 2,wR2=0.179 9。1的晶体是由孤立的分子所组成,五配位的锌(Ⅱ)呈畸变的三角双锥结构。1通过分子间弱的C-H┈O氢键形成了一维链状结构,同时分子内O-H┈O氢键起到了稳定1的作用。

A novel mononuclear complex,Zn（p-FBA）2（phen）（H2O）（1）,was synthesized by the reaction of zinc acetate with p-fluorobenzoic acid（p-FBA） and 1,10-phenanthroline（phen） in 33% MeOH.The structure was characterized by UV-Vis,IR,elemental analysis,TGA and X-ray single crystal diffraction.The 1 exhibited better thermal stability.The 1 belongs to triclinic,space group P-1 with a=7.893（7） ,b=10.412（9） ,c=14.473（13） ,α=104.504（15）°,β=97.780（17）°,γ=96.431（15）°,V=1 127.6（17） 3,Z=2,Dc=1.596 g·cm-3,R1=0.083 2,wR2=0.179 9.In the crystal of 1,the structure consists of discrete molecule containing five-coordinate zinc（Ⅱ） in a distorted trigonal biyramid configuration.Weak intermolecular C-H┈O hydrogen bonds link the molecules into one-dimensional chains.In addition,intramolecular O-H┈O hydrogen bonds which help to establish the conformation also exist.