Citation: NIE Xu-Liang, Xiong Hui, TU Yong-Gang, HUANG Chang-Gan. Binuclear Parallelepiped Three-Dimensional Ca(Ⅱ) Coordination Polymer Constructed by 2-Methylimidazole-4,5-dicarboxylate Ligand[J]. Chinese Journal of Inorganic Chemistry, ;2013, 29(9): 1962-1968. doi: 10.3969/j.issn.1001-4861.2013.00.208 shu

Binuclear Parallelepiped Three-Dimensional Ca(Ⅱ) Coordination Polymer Constructed by 2-Methylimidazole-4,5-dicarboxylate Ligand

1.
1 College of Science, Jiangxi Agricultural University, Nanchang 330045, China;

Received Date: 8 October 2012
Available Online: 21 March 2013
Fund Project: 国家自然科学基金(No.30760021) (No.30760021)江西省自然科学基金(No.0530016) (No.0530016)江西省教育厅青年基金(No.GJ10421,No.GJ13261)资助项目。 (No.GJ10421,No.GJ13261)

The title complex {[Ca₂(μ₃-HMIA^2-)(μ₅-HMIA^2-)(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, M_r=450.40, Z=4, D_c=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-HMIA^2-, two μ₅-HMIA^2- and eight Ca(Ⅱ) ions form a molecular parallelepiped of[Ca₈(μ₃-HMIA)4(μ₅-HMIA)₂]⁴⁺. The μ₅-HMIA^2- ligand adopts a unique coordination mode and links the neighboring parallelepipeds to form one-dimensional chain. The μ₃-HMIA^2- 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-HMIA^2- ligand to generate a three-dimensional MOFs. Thermal gravimetric analysis and antibacterial activities of complex 1 were also studied. CCDC: 869134.
- coordination modes;Ca(Ⅱ);2-methyl-1H-imidazole-4,5-dicarboxylic acid;hydrothermal synthesis;crystal structure
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沈阳化工大学材料科学与工程学院沈阳 110142