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A new one-dimensional Mg(Ⅱ) coordination polymer, [Mg(L)(phen)(H_2O)](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) ?, β = 126.99(3)o, V = 3991.1(14) ?3, Z = 8, C19H12 MgN_4O_8, Mr = 448.64, Dc = 1.493 g/cm3, F(000) = 1840, μ(Mo Ka) = 0.146 mm-1, R = 0.0559 and w R = 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 ?, 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/LANL2 DZ method in Gaussian 09 Program. The calculation results show obvious covalent interaction between the coordinated atoms and Mg(Ⅱ) ion.
A new one-dimensional Mg (Ⅱ) coordination polymer, [Mg (L) (phen) (H_2O)] (1), has been hydrothermally synthesized by using 3,5-dinitro- salicylic acid (H2L) and 1,10- The crystallizes in monoclinic space group C2 / c with a = 33.038 (7), b = 6.6481 (13), c = 22.750 (5) ?, β = 126.99 (3) o, V = 3991.1 14 = 3, Z = 8, C19H12MgN_4O_8, Mr = 448.64, Dc = 1.493 g / cm3, F (000) = 1840, μ (Mo Ka) = 0.146 mm-1, R = 0.0559 and w R = 0.0975. In 1, each L anion bridges two Mg (Π) 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. Furthermore, 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 / LANL2 DZ method in Gaussian 09 Program. The calculation results show obvious covalent interaction between the coordinated atoms and Mg (II) ion.