三维金属有机骨架微孔晶体化合物Cd_5(BTC)_4(H_2O)_8·6H_2O的合成与晶体结构  

Synthesis and Crystal Structure of a 3D Metal-organic Framework Microporous Compound Cd_5(BTC)_4(H_2O)_8·6H_2O

作　　者：孙福兴[1] 朱广山[1] 叶玲[2] 方千荣[1] 裘式纶[1] 

机构地区：[1]吉林大学化学学院无机合成与制备化学国家重点实验室,长春130012 [2]吉林大学化学学院超分子结构与材料教育部重点实验室,长春130012

出　　处：《高等学校化学学报》2006年第8期1418-1420,共3页Chemical Journal of Chinese Universities

基　　金：国家'九七三'计划项目(批准号:G2000077507);国家自然科学基金(批准号:29873017;20101004);吉林大学研究生创新基金(批准号:420050103013)资助

摘　　要：The title compound,Cd5（BTC）4(H2O)8·6H2O（BTC=1,3,5-benzenetricarboxylate） was synthesized under mild conditions,and its crystal structure was determined by means of single crystal X-ray diffraction.The compound crystallizes in the monoclinic system and belongs to space group P21/c with a=1.022 6（2） nm, b=1.081 4（2） nm,c=2.987 6（6） nm,β=99.437（3） °,V=3.259 1（11） nm3,Z=2,Dc=1.645 g/cm3,Mr=807.23,μ=1.691 mm-1,F（000）=1 544,GOF=1.082,R=0.059 2,wR=0.187 7. Its structure revealed that Cd1 and Cd2 centers are firstly linked with BTC to form wave-like layers,and then the octahedral coordination geometries of Cd3 centers connect the neighboring above layers to construct the 3D framework of Cd5（BTC）4（H2O）8·6H2O having 'Z'-like shaped channels with the greatest dimensions about 2.6 nm viewed along the direction.The title compound, Cd5 （ BTC ） 4 （H2O） 8 · 6H2O （ BTC = 1,3,5-benzenetricarboxylate） was synthesized under mild conditions, and its crystal structure was determined by means of single crystal X-ray diffraction. The compound crystallizes in the monoclinic system and belongs to space group P21/c with a = 1.022 6（2） nm, b =1.081 4（2） nm, c=2.987 6（6） nm,β=99.437（3）°, V=3.259 1（11） nm^3, Z= 2, Dc=1.645 g/cm^3, M1=807.23, μ=1.691 mm^-1, F（000） =1 544, GOF=1.082, R=0.0592, wR= 0. 187 7. Its structure revealed that Cdl and Cd2 centers are firstly linked with BTC to form wave-like layers, and then the octahedral coordination geometries of Cd3 centers connect the neighboring above layers to construct the 3D framework of Cd5 （BTC）4 （H2O）s · 6H2O having“Z”-like shaped channels with the greatest di- mensions about 2. 6 nm viewed along the [ 100] direction.

关 键 词：金属有机骨架 晶体结构 微孔化合物 

分 类 号：O614[理学—无机化学]