混合配体配合物镉(Ⅱ)-邻菲罗啉-丙二酸根异构体的结构特征研究  

Crystal Structure Characteristics of Isomer of Mixed Ligand Complex Cd(Ⅱ)-phenanthroline-malonate

作　　者：孙亚光[1] 魏德洲[1] 高恩君[2] 丁茯[3] 

机构地区：[1]东北大学资源与土木工程学院,沈阳110004 [2]沈阳化工学院配位化学研究室,沈阳110142 [3]辽宁大学化学科学与工程学院,沈阳110036

出　　处：《化学学报》2004年第16期1569-1572,共4页Acta Chimica Sinica

基　　金：辽宁省自然科学基金 (No.2 0 0 2 2 0 1 8);沈阳化工学院中青年基金资助项目

摘　　要：由硝酸镉、邻菲罗啉和丙二酸混合反应 ,得到无色透明单晶 .经X射线单晶衍射法测定了该晶体的分子结构 ,在 1个晶胞中存在两个混合配体配合物异构体 ,其组成为C2 7H18O4N4Cd .晶体学数据为 :三斜晶系 ,P 1空间群 .a =0 14 43 2 ( 5 )nm ,b =0 15 5 17( 5 )nm ,c =0 160 98( 6)nm ,α =10 7 0 48( 6)° ,β =98 989( 6)° ,γ =116 481( 6)° ,Z =2 ,F( 0 0 0 ) =12 87,Dc=1 45 3g/cm3 ,μ =0 80 2mm-1,R1=0 0 64 5 ,wR2 =0 175 6.该异构体的差别在于丙二酸根中 2个羧基中各 1个氧原子配位 ( 1)或 1个羧基中 2个氧原子同时配位 ( 2 ) .1和 2之间靠氢键和πThe transparent colorless single crystal was obtained by reacting cadmium nitrate with phen and malonic acid (mal). The crystal structure was determined by X-ray diffraction. The crystal structure indicates that there are two compounds in one crystal cell and they are isomeric complexes with empirical formula C 27H 18O 4N 4Cd. They crystallize in triclinic system with space group P-1, a=0 14432(5) nm, b=0 15517(5) nm, c=0 16098(6) nm, α=107 048(6)°, β=98 989(6)°, γ=116 481(6)°, Z=2, F(000)=1287. D c=1 453 g/cm 3, μ=0 802 mm -1, R 1=0 0645, wR 2=0 1756. Difference between the two isomeric complexes is that in complex 1 Cd 2+ is coordinated by one oxygen atom of every carboxylate and in complex 2 Cd 2+ is coordinated by two oxygen atoms in a carboxylate group. Two isomeric complexes formed supramolecular structure through hydrogen bonds and π-π stacking.

关 键 词：混合配体 镉配合物 邻菲罗啉 丙二酸 异构体 分子结构 超分子化合物 

分 类 号：O641.4[理学—物理化学]