| 由2-甲基咪唑-4,5-二羧酸构筑的双核平行六面体三维钙配位聚合物 |
| Binuclear Parallelepiped Three-Dimensional Ca(Ⅱ) Coordination Polymer Constructed by 2-Methylimidazole-4,5-dicarboxylate Ligand |
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| 摘要: 合成了一个双核钙配合物{[Ca2(μ3-HMIA2-)(μ5-HMIA2-)(H2O)]·H2O}n(1,H3MIA=2-甲基咪唑-4,5-二羧酸),并用元素分析、红外光谱和X-射线单晶衍射等对其进行了表征。结构分析表明,1属单斜晶系,P21/c空间群,晶胞参数为a=0.860 67(11) nm,b=1.656 5(2) nm,c=1.269 24(16) nm,β=108.005 0(10)°,V=1.720 9(4) nm3,C12H10Ca2N4O10,Mr=450.40,Z=4,Dc=1.728 g·cm-3,F(000)=920,μ=0.727 mm-1,S=1.041,λ(Mo Kα)=0.071 073 nm,R=0.026 0 and wR=0.063 8。在1晶体结构中,每个钙(Ⅱ)离子都是7配位的,但展现2个不同的配位环境。4个μ3-HMIA2-配体,2个μ5-HMIA2-配体和8个钙(Ⅱ)离子形成一个平行六面体结构[Ca8(μ3-HMIA)4(μ5-HMIA)2]4 。μ5-HMIA2-配体采用独特的配位模式并连接周围的平行六面体结构形成一维链结构,配体μ3-HMIA2-连接相邻的一维链形成一种新的蜂窝型的二维层状结构,相邻的二维层通过μ3-HMIA2-配体的2个氧原子进一步形成一个三维结构。还研究了配合物1的热重分析和抑菌活性。CCDC: 869134。 |
| 关键词: 配位模式 钙(Ⅱ) 2-甲基咪唑-4,5-二羧酸 水热合成 晶体结构 |
| 基金项目: 国家自然科学基金(No.30760021);江西省自然科学基金(No.0530016);江西省教育厅青年基金(No.GJ10421,No.GJ13261)资助项目。 |
| Abstract: The title complex {[Ca2(μ3-HMIA2-)(μ5-HMIA2-)(H2O)]·H2O}n (1, H3MIA=2-methyl-1H-imidazole-4,5-dicarboxylic acid) was synthesized by hydrothermal synthesis and characterized by elemental analysis, infrared spectroscopy, and single-crystal X-ray diffraction. Compound 1 crystallizes in monoclinic system, space group P21/c with a=0.860 67(11) nm, b=1.656 5(2) nm, c=1.269 24(16) nm, β=108.005 0(10)°, V=1.720 9(4) nm3, C12H10Ca2N4O10, Mr=450.40, Z=4, Dc=1.728 g·cm-3, F(000)=920, μ=0.727 mm-1, S=1.041, λ(Mo Kα)=0.071 073 nm, R=0.026 0 and wR=0.063 8 for 3 211 observed reflections (I>2σ(I)). Compound 1 is a unique binuclear Ca(Ⅱ) parallelepiped MOFs, two Ca(Ⅱ) cations are seven-coordinated, but show different coordination environments. Four μ3-HMIA2-, two μ5-HMIA2- and eight Ca(Ⅱ) ions form a molecular parallelepiped of[Ca8(μ3-HMIA)4(μ5-HMIA)2]4 . The μ5-HMIA2- ligand adopts a unique coordination mode and links the neighboring parallelepipeds to form one-dimensional chain. The μ3-HMIA2- ligand links the neighboring one-dimensional chains to yield a two-dimensional honey comb-like network layer architectures, which are further linked through two carboxlate oxygen atoms from μ3-HMIA2- ligand to generate a three-dimensional MOFs. Thermal gravimetric analysis and antibacterial activities of complex 1 were also studied. CCDC: 869134. |
| Keywords: coordination modes Ca(Ⅱ) 2-methyl-1H-imidazole-4,5-dicarboxylic acid hydrothermal synthesis crystal structure |
| 投稿时间：2012-10-08 修订日期：2013-03-21 |
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| 聂旭亮,熊辉,涂勇刚,黄长干.由2-甲基咪唑-4,5-二羧酸构筑的双核平行六面体三维钙配位聚合物[J].无机化学学报,2013,29(9):1962-1968. |
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