新型混价铜配合物[CuⅠCuⅡ(Ophen)2Cl]·H2O(HOphen=2-羟基-1,10-邻菲咯啉)的水热合成和晶体结构

报道了一种新型混价铜配合物CuⅠCuⅡ(Ophen)2Cl]·H2O(HOphen=2-羟基-1,10′-邻菲咯啉)的水热合成和晶体结构.该化合物属于三斜晶系,P1空间群,a=0.91667(18)nm,b=1.0546(2)nm,c=1.1705(2)nm,α=80.50(3)°,β=80.56(3)°,γ=66.87(3)°,V=1.0202(3)nm3,Z=2,Dc=1.872Mg/m3,R1=0.0508,(wR2)=0.1481.标题化合物由一种新型的双核铜配合物和一个结晶水组成.邻菲咯啉在水热反应中发生羟基化,形成新型的羟基化邻菲咯啉.两个这样的配合物通过Cu…Cu间的范德华力相互作用形成二聚体.二聚体之间通过Ophen基团的π-π堆积以及C—H…Cl弱相互作用构筑成三维超分子网络.水分子处于网络的孔穴中.该化合物为邻菲咯啉的羟基化提供又一个新的范例.

Hydrothermal Synthesis and Crystal Structure of a New Mixed-valent Copper Complex [CuⅠCuⅡ(Ophen)2Cl]·H2O (HOphen=2-Hydroxy-1,10-phenanthroline)

A new mixed-valent copper complex CuⅠCuⅡ(Ophen)2Cl]·H2O(HOphen=2-hydroxy-1,10-phenanthroline) was hydrothermally synthesized and its structure was characterized by the single crystal X-ray diffraction. The compound crystallizes in the triclinic system, space group P1 with a= 0.916 67(18) nm, b=1.054 6(2) nm, c=1.170 5(2) nm, α=80.50(3)°, β=80.56(3)°, γ=66.87(3)°, V= 1.020 2(3) nm3, Z=2, Dc=1.872 Mg/m3, R1(wR2)=0.050 8(0.148 1). The title compound consists of a new dinuclear copper complex CuⅠCuⅡ(Ophen)2Cl]·H2O and one crystal water. Furthermore, two such complexes form a dimer via the van der Waals interactions between Cu…Cu centers. Furthermore, such dimers are stacked into a 3D supramolecular frameworks via the π-π interactions between adjacent Ophen groups and the weak C—H…Cl intermolecular forces. The water molecules are resided into the cavities of the frameworks.