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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.
The complex [Cu (phen) (MCS) (H2O)]. H2O was synthesized from 5-methyl-3-carboxy salicylaldehyde (H2MCS), phenanthroline and copper acetate using infrared spectroscopy The crystal structure of the complex belongs to the triclinic system with P-1 space group, a = 0.824 9 (3) nm, b = 1.009 0 (3) α = 72.891 (7) °, β = 89.565 (7) °, γ = 88.990 (8) °, V = 0.942 6 (5) nm3, Z = 2 and Mr = 457.91, Dc = 1.613 42g / cm3, F (000) = 470, μ = 1.202mm-1, R1 = 0.055 0, wR2 = 0.117 5. The copper ions in the complex are five- Bit environment, every two molecules form a pair of molecules by π-π stacking and hydrogen bonding, and then form a two-dimensional layered structure through the hydrogen bonding between the free water molecule and the pair of molecules.