1,10-菲啰啉和5-羟基-1,3-苯二甲酸铁(Ⅲ)配位聚合物的合成和晶体结构

Synthesis and Structure of Ferrum(Ⅲ) Coordination Complex Based on 1,10-Phenanthroline and 5-Hydroxyisophthalic Acid

采用水热法合成了铁的新配合物{[Fe(phen)3]·2(O-BDC)·H3O+·3H2O}n(1),[phen=1,10-菲啰啉,OBDC=5-羟基-1,3-苯二甲酸],用元素分析、红外光谱和X射线单晶结构等进行了表征。结果表明该配位聚合物属于正交晶系,Pbcn空间群。晶胞参数为:a=1.09818(18)nm,b=2.2400(4)nm,c=1.8615(3)nm,F(000)=2132,Dc=1.494 g·cm-3,V=4.5791(13)nm3,Mr=1029.76,Z=4,μ=0.409 mm-1,R1=0.0477,ωR2=0.0710。该配位聚合物晶体中,5-羟基-1,3-苯二甲酸没有参加配位,1,10-菲啰啉与铁原子形成零维结构,零维结构通过1,10-菲啰啉分子间的π-π堆积作用进一步连接形成一维链状结构,5-羟基-1,3-苯二甲酸与水形成的氢键相连接,形成三维的孔状结构,铁的一维链状结构填充在三维的孔道中。

One new Fe（Ⅲ） coordination complex { [Fe（phen）3]·2（O-BDC） ·H3O＋·3H2O}n（1）,[phen = 1,10-Phenanthroline,O-BDC = 5-Hydroxyisophthalic Acid]was produced by solvethermal method. The coordination complex was characterized by elemental analysis,IR spectroscopy,X-ray single-crystal diffraction and so on. The results indicated that coordination complex crystallizes in the orthorhombic system,Pbcn space group. The cell parameters are a = 1. 09818（18） nm,b = 2. 2400（4）nm,c = 1. 8615（3） nm,F（000） = 2132,Dc= 1. 494 g·cm- 3,V =4.5791（13） nm3,Mr= 1029. 76,Z = 4,μ = 0. 409 mm- 1,R1= 0. 0477,ωR2= 0. 0710. In this complex,the 5-Hydroxyisophthalic Acid were not coordinated,and 1,10-Phenanthroline coordinated with Fe（Ⅲ） forming 0D structures,then the0 D structures formed 1D chain structures by π-π stacking interactions between 1,10-Phenanthroline. The1 D chain structures filled in the 3D networks channel which was obtained by H-bonding between the Oatoms of water and 5-Hydroxyisophthalic Acid ligands.