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设计合成了一种新型有机配体5-[4-(4-吡啶基)苯乙烯基]-1,3-苯二甲酸(H2L),并将其与Cu(NO3)2·3H2O在不同条件下反应合成了两种不同结构的配位聚合物{[CuL]·H2O}n(1)和{[Cu2L2]·H2O}n(2).配合物1为utp型有孔道的金属有机框架化合物(MOF)结构,配合物2为含双核铜单元的rtl型拓扑结构.研究发现,1对N2和CO2均未表现出吸附性质,而与其拓扑结构相同的配合物{[Cu(INAIP)]·2H2O}n(H2INAIP=5-异烟酰胺基异酞酸)却有很好的CO2吸附性能.为理解它们的构效关系,从实验和理论计算两方面对这两种化合物进行了比较研究,证实此差异源于配体中连接羧酸和吡啶基的共轭官能团,其中1的共轭官能团为苯乙烯基,而{[Cu(INAIP)]·2H2O}n中的官能团为酰胺基.实验和理论计算的结果表明,酰胺基对CO2吸附起了重要作用.另外,对配合物2的磁性质进行了研究,结果表明,该化合物具有反铁磁性相互作用.
A novel organic ligand, 5- [4- (4-pyridyl) styryl] -1,3-benzenedicarboxylic acid (H2L), was designed and synthesized and reacted with Cu (NO3) 2 · 3H2O under different conditions Two different structures of coordination polymers {[CuL] · H2O} n (1) and {[Cu2L2] · H2O} n (2) were synthesized under the following reaction conditions: (MOF), and the rtl topology with dinuclear copper units for complex 2. It was found that none of the two pairs of N2 and CO2 exhibited adsorption properties {{Cu (INAIP)] with the same topological structure 2H2O} n (H2INAIP = 5-isonicotinamido isophthalic acid) has good CO2 adsorption performance.In order to understand their structure-activity relationship, the two compounds were compared in both experimental and theoretical calculations, It was confirmed that this difference originated from the conjugate functional group in the ligand which links the carboxylic acid and the pyridyl group, wherein the conjugate functional group of 1 is a styryl group and the functional group in {[Cu (INAIP)] · 2H2O} n is an amide group And theoretical calculations show that the amide group plays an important role in the CO2 adsorption.In addition, the magnetic properties of complex 2 have been studied and the results show that the compound has antiferromagnetic interaction.