由2-(对溴)苯基-4，5-咪唑二羧酸构筑的镍(Ⅱ)配位聚合物的合成、结构及性质研究

Synthesis, Structure and Properties of a 2-( p-Bromophenyl)-Imidazole Dicarboxylate-Based Ni(Ⅱ) Coordination Polymer

本文首先合成了多功能有机桥联配体：2-（对溴）苯基-4，5-咪唑二羧酸（p—BrPhH3IDC），使之与Ni（Ⅱ）在溶剂热条件下自组装，得到了一个二维配位聚合物（[Ni（p—BrPhH：IDC）2]·2H2O）n（1）。采用红外光谱、元素分析以及X-ray单晶衍射表征了这个配合物的分子结构。结果表明：H，BrPhIDC配体表现出比较强的配位能力，这和通过量子化学计算给出的预测一致。研究了此配聚物在空气气氛下的热稳定性以及采用变温磁化率研究了在2．0～300K范围内的磁性质。结果表明：在配合物1中，相邻镍离子间存在着弱的反铁磁偶合作用。

By the reaction of 2-（p-bromophenyl）-1H-imidazole-4,5-dicarboxylic acid （p-BrPhH3IDC） with Ni（Ⅱ） ion, one coordination polymer, namely, [Ni（p-BrPhHzIDC）2]·2H2O}, （1） has been synthesized under solvothermal condition. Its molecular structure has been characterized by single-crystal X-ray diffraction, elemental analysis and IR spectrum. The results reveal that it is a two-dimensional polymer, and the ligand p-BrPhH3IDC shows strong coordination ability. Furthermore, the existence of intermolecular hydrogen bonds and π ... π staeking interactions between the aromatic groups supplies the additional stabilization for the solid-state supramolecular structure of polymer 1. The thermal properties of 1 and its magnetic behaviors have been studied in the temperature range of 2.0-300 K. Magnetic measurement shows that the antiferromagnetic coupling between the Ni（II） ions in complex 1 can be observed. CCDC： 913845.