簇合物{[Ni(enMe)2][SiW12O40]}[Ni(enMe)2(H2O)2]2·3H2O的水热合成及晶体结构

Hydrothermal Synthesis and Crystal Structure of Cluster Compound {[Ni(enMe)_2][SiW_(12)O_(40)]}[Ni(enMe)_2(H_2O)_2]_2·3H_2O

用水热法合成出一种新的一维链状簇合物{[Ni(enMe)2][SiW12O40]}[Ni(enMe)2(H2O)2]2·3H2O,并对其进行了元素分析、IR谱、TGA及X射线单晶衍射等系列表征.该晶体属于单斜晶系,空间群C2/c,a=1.2656nm,b=2.20656(4)nm,c=2.26763(4)nm,β=92.078°,V=6.32852(16)nm3,Z=4,Dc=3.801g/cm3,μ=2.271mm-1,F(000)=6512,R1=0.0549,wR2=0.1087.在该化合物中,具有α-Keggin结构的聚阴离子簇[SiW12O40]6-之间通过配位阳离子[Ni(enMe)2]2+桥连成一维无限链状结构,另一种配位阳离子[Ni(enMe)2(H2O)2]2+和水分子填充在结构中,通过分子间的氢键作用将该化合物拓展为三维网状结构.

the novel One-dimensional chain structure of the title cluster compound was synthesized and characterized by elemental analysis, IR spectra, TGA and X-ray single-crystal diffraction. The title cluster compound crystallized in a monoelinie system with space group C2/c,a=1.2656nm,b=2.20656（4）nm,c=2.26763（4）nm,β=92.078°,V=6.32852（16）nm^3,Z=4,Dc=3.801g/cm^3,μ=2.271mm^-1,F（000）=6512,R1=0.0549,wR2=0.1087. The structure building block of the structure is the polyanion [ SiW12O40 ]^6- with α-Keggin structure. The clusters were linked together with one-dimensional infinite chain through [Ni（enMe）2]^2 ＋ cations. The [Ni（enMe）2（H2O）2]^2＋ cations and water molecules were filled in the structure. The cluster compound was expanded to three-dimensional framework by hydrogen bond interactions among molecules.