四氯化铁合四丁基胺化合物的合成和晶体结构表征

合成了标题化合物n-Bu4N]+FeCl4]-,并通过元素分析和X-射线单晶衍射对其结构进行了表征。晶体属于正交晶系,空间群Pnna,晶胞参数为:a=1.851 0(4)nm,b=1.155 3(2)nm,c=1.144 2(2)nm,V=2.446 8(8)nm3,Z=8,Dc=1.195 g.cm-3,F(000)=932,μ=1.051 mm-1。化合物由一个独立的FeCl4]-阴离子和一个独立的n-Bu4N]+阳离子组成。在FeCl4]-阴离子中,中心的铁原子与4个氯离子配位,形成一个扭曲的四面体构型,Fe Cl键键长分别为0.212 2(14)nm和0.218 07(17)nm。在n-Bu4N]+阳离子中,氮原子同样处于一个扭曲的四面体构型。在固体状态下,独立的FeCl4]-阴离子和n-Bu4N]+阳离子通过弱的C H…Cl分子间相互作用力使晶体结构得以稳定。

Synthesis and Crystal Structure of Tetrabutylammonium Tetrachloroferrate Complex

The title compound,n-Bu_(4)N]~(+)FeCl_(4)]~(-) was prepared and characterized by elemental analysis and X-ray crystallography.It crystallizes in the orthorhombic system,space group Pnna,a=1.851 0(4) nm,b=1.155 3(2) nm,c=1.144 2(2) nm,V=2.446 8(8) nm~(3),Z=8,D_(c)=1.195 g·cm~(-3),F(000)=932,μ =1.051 mm~(-1).The crystal structure consists of one independent FeCl_(4)]~(-)anion and one independent(n-(Bu_(4)N)]~(+))cation.In FeCl_(4)]~(-)anion,the central Fe atom adopts distorted tetrahedral geometry with four Cl atoms,and Fe-Cl bond distances are 0.212 2(14) nm and(0.218 07)(17) nm respectively.In n-Bu_(4)N]~(+) cation,N atom also adopts a slightly distorted tetrahedral geometry.In the solid state,the C-H…Cl interactions link FeCl_(4)]~(-) anions and n-Bu_(4)N]~(+) cations which stabilize the structure.