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Synthesis, crystal structures and magnetic behavior of two 3D coordination polymers using N-(4/3-carboxyphenyl)iminodiacetic acids as bridging ligands

机译:N-(4 / 3-羧苯基)亚氨基二乙酸为桥联配体的两种3D配位聚合物的合成,晶体结构和磁性

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摘要

Research on structure and magnetic properties of polynuclear metal complexes to understand the structural and chemical factors governing the electronic exchange coupling mediated by multi-atom bridging ligands is of growing interest. Hydrothermal treatment of Ni(NO_3) _2·6H_2O with N-(4-carboxyphenyl)iminodiacetic acid [N-4(H_3CPIDA)] at 150 °C yielded a 3D coordination polymer of general formula [Ni_3{N-4(CPIDA)}_2(H_2O) _3]·6H_2O (1). An analogous network of general formula [Co_3{N-3(CPIDA)}_2(H_2O) 3]·3H_2O (2) was synthesized using N-(3-carboxyphenyl)iminodiacetic acid [N-3(H_3CPIDA)] in combination with Co(NO_3)_2·6H_2O under identical reaction condition. Both the complexes contain trinuclear secondary building unit, and crystallized in monoclinic system with space groups C2/c (1) and P2_1/c (2), respectively. Variable temperature magnetic characterization of these complexes in the temperature range of 2-300 K indicated the presence of overall ferromagnetic and antiferromagnetic behavior for 1 and 2, respectively. Density functional theory calculations (B3LYP functional) were performed for further insight on the trinuclear units to provide a qualitative theoretical interpretation on the overall magnetic behavior of the complexes 1 and 2.
机译:研究多核金属配合物的结构和磁性能,以了解控制由多原子桥联配体介导的电子交换耦合的结构和化学因素。用N-(4-羧基苯基)亚氨基二乙酸[N-4(H_3CPIDA)]在150°C的条件下对Ni(NO_3)_2·6H_2O进行水热处理,得到了具有通式[Ni_3 {N-4(CPIDA)}的3D配位聚合物。 _2(H_2O)_3]·6H_2O(1)。使用N-(3-羧苯基)亚氨基二乙酸[N-3(H_3CPIDA)]与N-(3-羧苯基)亚氨基二乙酸结合,合成通式[Co_3 {N-3(CPIDA)} _ 2(H_2O)3]·3H_2O(2)的类似网络在相同反应条件下生成Co(NO_3)_2·6H_2O。两种配合物均包含三核二级结构单元,并在单斜晶系系统中分别以空间群C2 / c(1)和P2_1 / c(2)结晶。这些配合物在2-300 K的温度范围内的可变温度磁特性表明,分别存在1和2的总体铁磁和反铁磁行为。进行了密度泛函理论计算(B3LYP泛函),以进一步了解三核单元,从而对配合物1和2的整体磁行为提供了定性的理论解释。

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