配合物{[Fe(4,4'-bipy)(H_2O)_4]·2(mtyaa)}_n的合成、晶体结构和性质

Synthesis,Crystal Structure and Properties of {[Fe(4,4'-bipy)(H_2O)_4]·2(mtyaa)}_n Coordination Compound

通过溶液法成功合成出了一个新的铁配合物{[Fe(4,4'-bipy)(H_2O)_4]·2(mtyaa)}_n(mtyaa=2-(5-甲基-1,3,4-噻二唑)-硫乙酸阴离子; 4,4'-bipy=4,4'-联吡啶),用X射线单晶衍射仪测定了配合物的单晶结构,并对它进行了元素分析、红外光谱、热重和粉末X射线衍射等表征。配合物属于三斜晶系,P空间群。晶胞参数为:a=0.825 5(3) nm,b=1.164 1(4) nm,c=1.464 7(6) nm,α=92.962(6)°,β=96.206(7)°,γ=106.327(7)°,V=1.337 8(9) nm^3,Z=2,Dc=1.645 g/cm^3,F(000)=684,R_1=0.0377,wR_2=0.080 1。在配合物中Fe(Ⅱ)离子被4,4'-联吡啶配体连接形成一维链状结构,未配位的2-(5-甲基-1,3,4-噻二唑)-硫乙酸阴离子游离在铁链之间。游离羧酸配体与配位水之间的氢键作用将链状结构连接成三维孔道结构。

A new Fe( Ⅱ) coordination compound { [Fe( 4,4’-bipy)( H2O)4]·2( mtyaa) }n( mtyaa is 2-( 5-methyl-1,3,4-thiadiazol-2-ylthio) acetic acid anion;4,4’-bipy = 4,4’-bipyridine) has been synthesized by solution method and characterized by single-crystal X-ray diffraction,elemental analysis,FTIR spectra,thermal analysis and powder X-ray diffraction.The crystal belongs to a triclinic system with space group P. The cell parameters are: a =0.825 5( 3) nm,b = 1.164 1( 4) nm,c = 1.464 7( 6) nm,α = 92.962( 6) °,β = 96.206( 7) °,γ =106.327( 7) °,V = 1.337 8( 9) nm3,Z=2,Dc= 1.645 g/cm3,F( 000) = 684,R1= 0.037 7,wR2= 0.080 1.In this compound,Fe( Ⅱ) ions are connected into one dimensional chain structure by 4,4’-bipyridine ligands,the uncoordinated mtyaa ligands freely existed among these chains.These chains are further linked into three dimensional network by numerous hydrogen bonds between free mtyaa ligands and coordinated waters.