三维开放框架结构的无机-有机杂化材料[Cu4(SiW12O40)（pyz）4]的合成与晶体结构

以α-Keggin型硅钨酸、碳酸铜和2-乙基-3-甲基吡嗪(pyz)为原料,通过水热方法合成了标题化合物。采用元素分析、红外光谱和单晶X-射线衍射法表征了该化合物的结构。晶体结构分析表明,该化合物属于正交晶系,Pna21空间群,晶胞参数a=2.238 38(4)nm,b=1.386 87(3)nm,c=2.151 07(3)nm,α=β=γ=90°,V=6.677 7(2)nm3,Z=4,F(000)=6 408,Dc=3.598 g/cm3。该化合物中一价铜离子首先被pyz配体连接成波浪型的一维链状结构,而(SiW12O40)4-阴离子作为三齿配体进一步连接这些链形成一个三维的框架结构。

Hydrothermal synthesis and crystal structure of a 3D open-framework inorganic-organic hybrid compound [ Cu4( SiW12 O40 ) (pyz)4 ]

A novel 3D open framework compound [Cu4-(SiW12O40)(pyz)4]was synthesized by the hydrothermal reaction of H4SiW12O40,CuCO3 and 2-ethyl-3-methylpyrazine(pyz).The structure was determined by single crystal X-ray diffraction analysis and further characterized by elemental analysis and IR.The compound belongs to orthorhombic system,space group Pna21 with a=2.238 38(4) nm,b=1.386 87(3) nm,c=2.151 07(3) nm,α=β=γ=90°,V=6.677 7(2) nm3,Z=4,F(000)=6 408,Dc=3.598 g/cm3.In [Cu4-(SiW12O40)(pyz)4],the Cu(Ⅰ) cations are first bridged by pyz ligands to form "wave-like" one-dimensional(1D) chains.The(SiW12O40)4-anions,as a tridentate ligand,links the 1D chains to generate a three-dimensional(3D) framework structure.