| 基于琥珀酸配体的锌/镉配合物的合成、结构及性质 | |
| Synthesis, Structure, and Properties of Zinc/Cadmium Complexes Based on Succinic Acid Ligand | |
| 摘要: 在水热条件下获得了2个过渡金属配合物[Zn (suc)(HL)]n(1)和[Cd (suc)0.5(L)]n(2)(H2suc=琥珀酸，HL=3-(2-吡啶基)吡唑)，并通过元素分析、IR光谱、单晶X射线衍射、热重分析、荧光光谱和粉末X射线衍射对结构进行了表征。在配合物1中，羧基配体suc2-通过双齿和单齿模式桥联金属中心形成了二维网络结构。在2中，suc2-和L-配体连接Cd (Ⅱ)离子也形成了二维框架。此外，通过基于Gaussian16程序的PBE0/LANL2DZ方法，对从1和2的晶体结构中选出的“分子碎片”进行了量子化学计算。计算结果表明，配位原子与Zn (Ⅱ)离子、Cd (Ⅱ)离子之间存在着明显的共价相互作用。 | |
| 关键词: 锌(Ⅱ)配合物 镉(Ⅱ)配合物 琥珀酸 3-(2-吡啶基)吡唑 晶体结构 | |
| 基金项目: 吉林省科技发展计划(No.JJKH20210541KJ)资助。 | |
| Abstract: Two transition-metal complexes, [Zn(suc)(HL)]n (1) and [Cd(suc)0.5(L)]n (2) (H2suc=succinic acid, HL=3-(2-pyridyl)pyrazole), have been achieved under hydrothermal conditions and structurally characterized by elemental analysis, IR spectrum, single-crystal X-ray diffraction, thermogravimetric analysis, fluorescent spectroscopy, and powder X-ray diffraction. In complex 1, the carboxyl ligand suc2- bridges the metal centers via bidentate and monodentate modes. The metal centers are coordinated by suc2- to form a 2D network structure. In 2, suc2- and L-ligands linked the Cd (Ⅱ) ions to form a 2D framework too. Besides, the quantum-chemical calculations were finished on ‘molecular fragments’selected from the crystal structure of 1 and 2 by the PBE0/LANL2DZ method in the Gaussian16 program. The calculation results indicate the distinct covalent interaction between the coordinated atoms and Zn(Ⅱ) ion/Cd(Ⅱ) ion. | |
| Keywords: Zn(Ⅱ) complex Cd(Ⅱ) complex succinic acid 3-(2-pyridyl)pyrazole crystal structure | |
| 投稿时间：2022-06-08 修订日期：2022-10-15 | |
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| 吕莹,李秀梅,黄艳菊,刘博,周实.基于琥珀酸配体的锌/镉配合物的合成、结构及性质[J].无机化学学报,2022,38(12):2511-2520. | |
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