第四期合并学生毕业论文.doc

Article 001 PAGE 2 Undergrad. Chem. Commun. 2010, 1(1), 001-002 Dept. Chem., Zhengzhou Univ. 栏目名 郑州大学标志 [journal], [year], [vol], 00–00 页码 The construction of a 3D Pr(III) coordination polymer based on 2-methyl imidazole-4,5-dicarboxylate and oxalate ligands Nan Chen （陈南09级本科生） Gang Li（李纲） Email163.com Article 002 ABSTRACT Solvothermal reaction of Pr(NO3)3.6H2O with 2-methyl-1H-imidazole-4,5-dicarboxylic acid (H3MIDC) and ammonium oxalate affords a metal-organic framework, {[Pr2(μ3-HMIDC)2(μ2-C2O4)(H2O)3]?EtOH?3H2O}n (1), which has been structurally characterized by single-crystal X-ray diffraction. Polymer 1 exhibits a novel 3D structure, in which infinite 1D chains, composed of nine-coordinated Pr(III) ions and oxalates, were linked by μ3-HMIDC2- to give rise to a 3D architecture. Its thermal and solid-state fluorescence properties have been investigated. Herein, we will report a novel 3-D polymer, {[Pr2(μ3-HMIDC)2(μ2-C2O4)(H2O)3]?EtOH?3H2O}n (1), based on Pr(III), and 2-methyl-1H-imidazole-4,5-dicarboxylic acid (H3MIDC). To gain high dimensional complexes, we introduce the carboxylate bridged ligand, oxalate, which is utilized in the preparation of lanthanide-containing MOFs commonly.[1-5] Single crystal X-ray diffraction shows that the doubly deprotonated HMIDC2- adopts a rare coordination mode (Scheme 1), which is not found in the previous reports. The thermal and solid-state photoluminescent properties of the polymer 1 have been determined as well. By introducing the different substitutes on the 2-labeled carbon atom, more complicated complexes may be gained. First, the coordination abilities of N and O atoms from imidazole ring and carboxylates may be enhanced; second, the multiformity of the substitutes may add to the flexibility of the complexes. Based on our previous calculations of the optimized geometries and the natural bond orbital (NBO) charge distributions of H3MIDC and imidazole-4,5-dic