用Cu(NO3)2·3H2O和phth(邻苯二甲酸)混合反应得到了配合物Cu(phth)2(H2O)2(1).通过元素分析、红外光谱对配合物进行了表征,用X射线单晶衍射仪测定了配合物的晶体结构.配合物为单斜晶系,P2(1)/c空间群.晶胞参数a=0.83895(17)nm,b=1.4441(3)nm,c=0.70992(14)nm,β=112.14(3)°,V=0.7967(3)nm3,Z=2,Dc=1.792 g/cm3,F(000)=438.0,S=1.100,R1=0.0376,wR2=0.0998.铜原子为四配位,呈畸变正方形构型,通过邻苯二甲酸根的π-π堆积作用形成了一维之字型链,相邻的链之间靠氢键和π-π堆积作用形成三维分子结构.
The coordination compound Cu(phth)2(H2O)2(phth=phthalate) (1), with formula C16 H14CuO10 was synthesized and its crystal structure was determined by single-crystal X-ray diffraction. Thecomplex belongs to a monoclinic system, space group P2(1)/c with a=0.83895 (17)nm, b=1.4441(3) nm,c=0.70992(14) nm,β=112.14(3)°,V=0.7967(3)nm3,Z= 2, Dc=1.792 g/cm3, F(000)=438.0,S=1.100, R1=0.0376, wR2=0.0998 for 1349 observed reflections (Ⅰ> 2σ(Ⅰ)).Single-crystal X-ray analysis revealed that the Cu (Ⅱ) ion was four-coordinated. The cuprum complexforms one-dimensional zigzag chains via π-π stacking interaction of phthalate. The adjacent zigzag chainsmay also be paired under the direction of supramolecular recognition and attraction through both π-πstacking and hydrogen bonding interactions into molecular zippers, which further interlinked into a three-dimensional molecular network by these noncovalent interactions.
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