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本文合成了铜配合物[Cu(phen)2Br](H3BTEC)(1,phen=1,10-phenanthroline,H4BTEC=1,2,4,5-benzenetetracarboxylic acid),并对其进行了元素分析、红外、紫外、单晶衍射、热重和电化学性质等表征。测定结果表明,该配合物晶体属三斜晶系,空间群P1,晶胞参数a=0.971 00(19)nm,b=1.212 0(2)nm,c=1.429 0(3)nm;α=102.21(3)°,β=99.57(3)°,γ=107.64(3)°,V=1.517 74(7)nm3,Z=2,C34H21BrCuN4O8,Mr=757,Dc=1.656 g.cm-3,μ=2.098 mm-1,F(000)=762,S=1.059,最终偏离因子R=0.044 9,wR=0.086 4。该配合物中发现了两种不同类型的一维链。一方面,氢键(C-H…Br)和Br…π堆积作用将[Cu(phen)2Br]+连接成一个一维阳离子链;另外,分子间的O-H…O氢键将均苯四甲酸连成一个双层的一维阴离子链。通过结构中的C-H…O氢键作用及其他弱作用将这两条不同的一维链堆积成一个三维结构。
The Cu (phen) 2Br (H3BTEC) (1, phen = 1,10-phenanthroline, H4BTEC = 1,2,4,5-benzenetetracarboxylic acid) was synthesized and characterized by elemental analysis, , UV, single crystal diffraction, TG and electrochemical characterization. The results show that the complex crystal belongs to the triclinic system with the space group P1, the unit cell parameters a = 0.971 00 (19) nm, b = 1.212 0 (2) nm and c = 1.429 0 102.21 (3) °, β = 99.57 (3) °, γ = 107.64 (3) °, V = 1.517 74 (7) nm3, Z = 2, C34H21BrCuN4O8, Mr = 757, Dc = 1.656 g.cm- μ = 2.098 mm-1, F (000) = 762, S = 1.059, final deviation factor R = 0.044 9, wR = 0.086 4. Two different types of one-dimensional chains were found in the complex. On the one hand, hydrogen bonds (CH ... Br) and Br ... π are stacked to connect [Cu (phen) 2Br] + to a one-dimensional cation chain. In addition, OH ... O hydrogen bonds between molecules link pyromellitic acid A double-layered one-dimensional anion chain. The two different one-dimensional chains are stacked into a three-dimensional structure by the C-H ... O hydrogen bonding in the structure and other weak effects.