a (Key Laboratory of Preparation and Applications of Environmental Friendly Materials (Jilin Normal University), Ministry of Education, Changchun 130103, China)
b (Department of Chemistry, Jilin Normal University, Siping 136000, China)
A New One-dimensional Coordination Polymer Based on 3,5-Dinitro-salicylic Acid: Synthesis, Crystal Structure, Luminescent Property and Theoretical Calculation
KONG Zhi-Guo;LIU Dong-Xue;LI Rui;JIANG Yue;WANG Li-Juan;HU Bo
a (Key Laboratory of Preparation and Applications of Environmental Friendly Materials (Jilin Normal University), Ministry of Education, Changchun 130103, China)
b (Department of Chemistry, Jilin Normal University, Siping 136000, China)
A new one-dimensional Mg(II) coordination polymer, [Mg(L)(phen)(H2O)] (1), has been hydrothermally synthesized by using 3,5-dinitro-salicylic acid (H2L) and 1,10-phenanthroline (phen). It crystallizes in monoclinic, space group C2/c with a = 33.038(7), b = 6.6481(13), c = 22.750(5) Å, β = 126.99(3)o, V = 3991.1(14) Å3, Z = 8, C19H12MgN4O8, Mr = 448.64, Dc = 1.493 g/cm3, F(000) = 1840, μ(MoKa) = 0.146 mm-1, R = 0.0559 and wR = 0.0975. In 1, each L anion bridges two Mg(II) atoms to give one-dimensional zigzag chains with the Mg•••Mg separation of 5.34 Å, which are extended by π-π stacking interactions between 1,10-phenanthroline ligands into a two-dimensional supramolecular layer. Moreover, the O–H•••O hydrogen-bonding interactions further stabilize the layer structure of 1. The luminescent property was also studied for 1 in solid state at room temperature. In addition, natural bond orbital (NBO) analysis was performed by the B3LYP/LANL2DZ method in Gaussian 09 Program. The calculation results show obvious covalent interaction between the coordinated atoms and Mg(II) ion.
孔治国;刘东雪;李芮;江月;王丽娟;胡波. 基于3，5-二硝基水杨酸的一维配位聚合物的合成、晶体结构、荧光性能及理论计算[J]. 结构化学, 2017, 36(5): 841-847.
KONG Zhi-Guo;LIU Dong-Xue;LI Rui;JIANG Yue;WANG Li-Juan;HU Bo. A New One-dimensional Coordination Polymer Based on 3,5-Dinitro-salicylic Acid: Synthesis, Crystal Structure, Luminescent Property and Theoretical Calculation. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2017, 36(5): 841-847.
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