邻菲咯啉·5-甲基-3-羧基水杨醛合铜配合物的合成与晶体结构

以5-甲基-3-羧基水杨醛(H2MCS)、邻菲咯啉(phen)、乙酸铜为原料合成了配合物Cu(phen)(MCS)(H2O)].H2O,用红外光谱和X射线单晶衍射表征了配合物的结构.结果表明该晶体属于三斜晶系,空间群为P-1,晶胞参数:a=0.824 9(3)nm,b=1.009 0(3)nm,c=1.185 0(4)nm,α=72.891(7)°,β=89.565(7)°,γ=88.990(8)°,V=0.942 6(5)nm3,Z=2,Mr=457.91,Dc=1.613 42g/cm3,F(000)=470,μ=1.202mm-1,R1=0.055 0,wR2=0.117 5.配合物中铜离子为五配位,处于变形的四方锥形配位环境中.每两个分子间通过π-π堆积和氢键作用形成分子对,然后通过游离水分子和分子对间的氢键作用形成二维层状结构.

Synthesis and Crystal Structure of Copper Complex with Phenanthroline and 5-Methyl-3-Carboxyl-Salicylaldehyde

The title complex Cu(phen)(MCS)(H2O)]·H2O was synthesized with 5-methyl-3-carboxyl-salicylaldehyde(H2MCS),phenanthroline(phen) and cupric acetate.The structure was characterized by IR and single crystal X-ray diffraction techniques.The crystal belongs to triclinic system,space group P-1 with cell parameters: a = 0.824 9(3) nm,b = 1.009 0(3) nm,c = 1.185 0(4) nm,α = 72.891(7)°,β = 89.565(7)°,γ = 88.990(8)°,V = 0.942 6(5) nm3,Z = 2,Mr = 457.91,Dc = 1.613 42 g/cm3,F(000) = 470,μ= 1.202 mm-1,R1 = 0.055 0,wR2 = 0.117 5.The copper ion is five coordinated in a square pyramidal geometry.Bimolecular chains are formed through π-π stacking and hydrogen bonding interactions.Two dimensional networks are formed with free water molecule and bimolecular chains through hydrogen bonding interactions.