2,6-吡啶二羧酸双核钴三维超分子配合物的制备和晶体结构(英文)  

Preparation and crystal structure of a binuclear cobalt (Ⅱ) three-dimensional supramolecular complex based on 2 , 6-pyridine dicarboxylic acid

作　　者：李艳周[1] 罗婕[1,2] 元静[1] 赵俊伟[1] 

机构地区：[1]河南大学化学化工学院-河南省多酸化学重点实验室,河南开封475004 [2]河南大学基础实验教学中心,河南开封475004

出　　处：《化学研究》2013年第4期360-364,共5页Chemical Research

基　　金：Supported by National Natural Science Foundation of China(21101055);Natural Science Foundation of Henan Province(122300410106);Foundation of Education Department of Henan Province(2009A150003,2010B150006);Students Innovative Pilot Plan of Henan University(2012)

摘　　要：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.Three-dimensional（3D） supramolecular complex [ Co 2（PDCA） 2（H 2 O） 5 ].2H 2 O（1） was obtained viathe reaction of CoCl 2.6H 2 O with 2,6-pyridine dicarboxylic acid（H 2 PDCA）,TbCl 3,KCl and K 8 [ α-SiW 11 O 39 ].13H 2 O in aqueous solution.The structure of as-synthesized compound 1 was characterized by means of single crystal X-ray diffraction and infrared spectrometry.It was found that compound 1 crystallizes in the monoclinic system of space group P2（1）/ c,with crystal cell parameters of a = 0.838 93（4） nm,b = 2.738 44（11） nm,c = 0.961 05（4） nm,β =98.2580（10） °,Z =4,V =2.184 98（16） nm 3,GOOF =1.000,R 1 = 0.024 7,and wR 2 =0.062 1.Two octahedral Co II cations in 1 show different coordination environments.Namely,the octahedral Co1cation contains five water molecules and a carboxyl oxygen atom from a PDCA 2ligand,whereas the octahedral Co2cation consists of four carboxyl oxygen atoms and two nitrogen atoms from two PDCA 2ligands.The 3Dsupramolecular architecture of 1 is constructed by means of hydrogen-bond interactions between water molecules and carboxyl oxygen atoms of PDCA ligands with O-H … O distances of 0.263 9（2）-0.306 2（3） nm.

关 键 词：2 6-吡啶二甲酸 钴配合物 三维超分子 制备 晶体结构 

分 类 号：O641.4[理学—物理化学]