金属有机骨架微孔晶体化合物由于具有可调的孔道形状、大小以及孔道骨架组成丰富等特点而在选择性吸附、分子识别、可逆性主-客体分子(离子)交换及手性拆分,特别是储氢等方面有着潜在的应用前景,已经越来越引起人们的注意.均苯三甲酸(H,BTC)是较早使用的、也是最常用的羧酸有机配体之一.例如,Williams小组以二价铜离子和H,BTC配位构筑了一个具有0.9nm×0.9nm四方孔道的三维金属有机骨架微孔晶体化合物.
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.