2-取代咪唑-4,5-二羧酸及其钴配合物的合成与晶体结构.doc

PAGE JIANGXI AGRICULTURAL UNIVERSITY 本 科 毕 业 论 文（设 计） 题目：2-取代咪唑-4,5-二羧酸及其钴配合物的合成与晶体结构 摘 要 本文以邻苯二胺为原料，分别与冰乙酸、正丁酸环合反应得到2-取代苯并咪唑，2-取代苯并咪唑经双氧水/浓硫酸氧化得到2-取代咪唑-4,5-二羧酸，其结构经元素分析、红外、质谱等表征。在水热条件下，2-甲基咪唑-4,5-二羧酸与醋酸钴反应，合成出了一个新的配合物[Co(HMIDC-)2(H2O)2]n，其结构经单晶X-射线衍射和元素分析方法表征。配合物属于正交晶系, Pbca 空间群, 晶胞参数a = 6.8261 ?, b = 13.9705 ?, c=16.7173 ?, V = 1594.2 ?3, Z = 2, Dc = 1.805 g·cm-3, F (000) = 884.0, GOF = 1.084, R = 0.0374, wR = 0.0861。钴原子与两个不同配体H2MIDC中的咪唑上的氮原子、羧基氧原子以及水分子配位，且形成了六配位八面体构型。配合物由分子间氢键构筑成了三维超分子氢键网络结构。 关键词：邻苯二胺； 2-取代咪唑-4,5-二羧酸；钴配合物；合成；晶体结构 Abstract 2-substitued-benzimidazoles were synthesized from o-phenyldiamine and acetic acid by cyclization, 2-substitued-imidazole-4,5-dicarboxylic acid were synthesized through the oxidation reaction of 2-methylbenzimidazole with the oxidizers H2O2/H2SO4. A novel complex of [Co(HMIDC-)2(H2O)2]n was synthesized based on ligand 2-methyl-1H-imidazole-4,5-dicarboxylic acid and nickel chloride in hydrothermal and characterized by elemental analysis and single crystal X-ray diffraction. The title complex crystallizes in monoclinic with space group pbca, a = 6.8261 ?, b = 13.9705 ?, c=16.7173 ?, V = 1594.2 ?3, Z = 2, Dc = 1.805 g·cm-3, F (000) = 884.0, GOF = 1.084, R = 0.0374, wR = 0.0861。. Two N, O- bidentate H2MIDC- ligand and two water molecules are coordinated to cobalt (II) atom. The cobalt atom displays an octahedral coordination geometry. The 3D supramolecular hydrogen bonding network structure is constructed via the intermolecular hydrogen bond interactions. Key words: O-phenyldiamine; 2-Substitued-imidazole-4,5-dicarboxlic acid; Cobalt Complex; Synthesis; Crystal structure 目 录 TOC \o 1-3 \h \z \u HYPERLINK file:///D:\\董晋乐论文(修改版3).doc \l _Toc261383684 摘要 = 1 \* ROMAN I HYPERLINK file:///D:\\董晋乐论文(修改版3).doc \l _Toc261383684 Abstract = 2 \* ROMAN II HYPERLINK file:///D:\\董晋乐论文(修改版3).doc \l _Toc261383684 1 引言 1 HYPERLINK file:///D:\\董晋乐论文(修改版3).doc \l _Toc26