论文部分内容阅读
由CoCl2.6H2O,2,6-吡啶二甲酸,TbCl3,KCl和K8[α-SiW11O39].13H2O在水溶液中反应得到三维超分子配合物[Co2(PDCA)2(H2O)5].2H2O(1);利用单晶X射线衍射仪和红外光谱仪表征了产物的结构。结果表明,化合物1属于单斜晶系,P2(1)/c空间群,晶胞参数为:a=0.838 93(4)nm,b=2.738 44(11)nm,c=0.961 05(4)nm,β=98.258 0(10)°,Z=4,V=2.184 98(16)nm3,GOOF=1.000,R1=0.024 7,wR2=0.062 1.化合物1中的2个八面体构型的二价钴显示出不同的配位环境;Co1离子的八面体由5个配位水分子和1个羧基氧原子构成,而Co2离子的八面体由4个羧基氧原子和2个氮原子构成.借助水分子和2,6-吡啶二羧酸氧原子之间的氢键作用,化合物1得以构筑三维超分子结构,O-H…O之间的距离分布在0.263 9(2)～0.306 2(3)nm之间.
The three-dimensional supramolecular complex [Co2 (PDCA) 2 (H2O) 5] was synthesized from CoCl2.6H2O, 2,6-pyridinedicarboxylic acid, TbCl3, KCl and K8 [α-SiW11O39] ); Single crystal X-ray diffraction and infrared spectroscopy were used to characterize the structure of the product. The results showed that compound 1 belongs to the monoclinic space group P2 (1) / c with unit cell parameters of a = 0.83893 (4) nm, b = 2.73844 (11) nm and c = 0.961 05 (2) nm = β = 98.258 0 (10) °, Z = 4, V = 2.184 98 (16) nm3, GOOF = 1.000, R1 = 0.0247, wR2 = 0.062 1. The two octahedral configurations of the bis Cobalt shows different coordination environment; the octahedron of Co1 ion is composed of 5 coordination water molecules and one carboxyl oxygen atom, while the octahedron of Co2 ion is composed of 4 carboxyl oxygen atoms and 2 nitrogen atoms. Hydrogen bond between water molecule and oxygen atom of 2,6-pyridinedicarboxylic acid, compound 1 can form three-dimensional supramolecular structure, and the distance between OH ... O is 0.263 9 (2) ~ 0.306 2 (3) nm between.