超分子化合物[M(4,4′-bipy)2(H2O)4·(4,4′-bipy)2·(3,5-diaba)2·8H2O](M=Co,Ni,Cd)的合成及晶体结构
Syntheses and Crystal Structures of Supramolecular Compounds [M(4,4′-bipy)2(H2O)4]·(4,4′-bipy)2·(3,5-diaba)2·8H2O (M=Co, Ni, Cd)
作者单位
韦友欢 广西师范大学化学化工学院桂林 541004
南宁师范高等专科学校化学与生命科学系龙州 532400 
谭安治 广西师范大学化学化工学院桂林 541004
玉林师范学院化学与生物系玉林 537000 
陈自卢 广西师范大学化学化工学院桂林 541004 
梁福沛 广西师范大学化学化工学院桂林 541004 
胡瑞祥 广西师范大学化学化工学院桂林 541004 
摘要: 合成了3个超分子化合物[M(4,4′-bipy)2(H2O)4]·(4,4′-bipy)2·(3,5-diaba)2·8H2O(M=Co (1),Ni (2),Cd (3);4,4′-bipy=4,4′-联吡啶;3,5-diaba=3,5-二氨基苯甲酸阴离子),用红外光谱、元素分析及X-射线单晶衍射进行了表征。3个化合物的晶体都属于单斜晶系,空间群为P2/c。晶体学参数:化合物1:a=0.938 9(2) nm,b=0.775 1(1) nm,c=3.928 4(6) nm,β=90.14(2)°,V= 2.858 80(69) nm3,Z=4,Dc=1.397 g·cm-3,F(000)=1 266,μ=0.380 mm-1,R1=0.034 9,wR2=0.082 9;化合物2:a=0.938 3(2) nm,b=0.775 3(1) nm,c= 3.921 8(6) nm,β=90.09(1)°,V=2.852 80(68) nm3,Z=2,Dc=1.399 g·cm-3,F(000)=1 268,μ=0.420 mm-1,R1=0.036 6,wR2=0.080 5;化合物3:a=0.940 91(13) nm,b=0.778 85(11) nm,c=3.971 2(5) nm,β=90.10°,V=2.910 2(7) nm3,Z=2,Dc=1.433 g·cm-3,F(000)=1 308,μ=0.454 mm-1,R1=0.046 8,wR2=0.096 4。3,5-diaba未参与配位,在配位阳离子[M(4,4′-bipy)2(H2O)4]2+中,金属离子M(II)与来自2个4,4′-bipy的2个氮原子和4个水分子的氧原子配位,呈八面体的几何构型。分子中还存在未配位的4,4′-bipy。通过配位阳离子、游离4,4′-bipy及未配位的3,5-diaba间的丰富氢键,构建成具有三维结构的超分子化合物。
关键词: 超分子化合物        晶体结构
基金项目: 
Abstract: Three supramolecular compounds [M(4,4′-bipy)2(H2O)4]·(4,4′-bipy)2·(3,5-diaba)2·8H2O (M=Co (1), Ni (2), Cd (3), 3,5-diaba=3,5-diaminobenzoic acid anion) were synthesized and characterized by elemental analysis, IR and X-ray crystal diffraction. All three crystals belong to monoclinic system with space group P2/c with a=0.938 9(2) nm, b=0.775 1(1) nm, c=3.928 4(6) nm, β=90.14(2)°, V=2.858 80(69) nm3, Z=4, Dc=1.397 g·cm-3, F(000)=1 266, μ=0.380 mm-1, R1=0.034 9, wR2=0.082 9 for (1); a=0.938 3(2) nm, b=0.775 3(1) nm, c=3.921 8(6) nm, β=90.09(1)°, V=2.852 80(68) nm3, Z=2, Dc=1.399 g·cm-3, F(000)=1 268, μ=0.420 mm-1, R1=0.036 6, wR2=0.080 5 for (2); and a=0.940 91(13) nm, b=0.778 85(11) nm, c=3.971 2(5) nm, β=90.10°, V=2.910 2(7) nm3, Z=2, Dc=1.433 g·cm-3, F(000)=1 308, μ=0.454 mm-1, R=0.046 8, wR=0.096 4 for (3). 3,5-Diaba doesn′t involve in coordination to M(II). In the [M(4,4′-bipy)2(H2O)4]2+ cation, the M(II) central ion is coordinated by two nitrogen atoms from two 4,4′-bipy molecules and four oxygen atoms from four coordinated water molecules to form an octahedral configuration. There exist uncoordinated 4,4′-bipy molecules in the compounds. The three-dimensional structures of the title supramolecular compounds are constructed by rich hydrogen bonds among [M(4,4′-bipy)2(H2O)4]2+, uncoordinated 4,4′-bipy molecules and 3,5-diaba. CCDC: 287873, 1; 287874, 2; 287875, 3.
Keywords: supramolecular compound  cobalt  nickel  cadmium  crystal structure
 
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韦友欢,谭安治,陈自卢,梁福沛,胡瑞祥.超分子化合物[M(4,4′-bipy)2(H2O)4·(4,4′-bipy)2·(3,5-diaba)2·8H2O](M=Co,Ni,Cd)的合成及晶体结构[J].无机化学学报,2006,22(2):273-280.
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