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以2-甲氧基苯甲酸(HL1)、2,3-二甲氧基苯甲酸(HL2)及甲醇为配体,合成了配合物Cu2(L1)4(CH3OH)2(1)和Cu2(L2)4(CH3OH)2(2),并通过红外、元素分析、X-射线粉末和单晶衍射等研究手段表征了其结构。配合物1属单斜晶系,空间群P21/n;配合物2属三斜晶系,空间群P1。2个配合物都具有双核铜结构,由2个铜离子、4个L配体分子和2个甲醇配体分子组成,其中配体L通过双齿配位模式与铜离子配合。研究了2个配合物的热稳定性,并通过Gaussian 09软件密度泛函理论B3LYP方法进行了理论研究。
The complexes Cu2 (L1) 4 (CH3OH) 2 (1) and Cu2 (1) were synthesized with 2-methoxybenzoic acid (HL1), 2,3-dimethoxybenzoic acid (HL2) L2) 4 (CH3OH) 2 (2), and its structure was characterized by IR, elemental analysis, X-ray powder and single crystal diffraction. Complex 1 belongs to the monoclinic space group P21 / n; complex 2 belongs to the triclinic system, and the space group P1.2 complexes have a dinuclear copper structure consisting of 2 copper ions and 4 L ligand molecules And two methanol ligand molecules, in which the ligand L is coordinated with copper ions through a bidentate coordination mode. The thermal stability of the two complexes was studied and the theoretical study was carried out by the B3LYP method of Gaussian 09 software density functional theory.