Synthesis, Crystal Structure, Magnetic Property and DFT Study of a Novel 2D Polymer [Cu(pdc)(bpy)]·H

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A new copper complex [Cu(pdc)(bpy)]·H2 O(1, H2 pdc = 3,5-pyridinedicarboxylic acid, bpy = 2,2-bipyridine) has been solvothermally synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy, UV-vis spectroscopy and magnetic measure- ments. Complex 1 crystallizes in monoclinic system, space group P21 /c, a = 10.893(2), b = 7.3641(15), c = 1.9921(4), β = 92.16(3), V = 1596.9(6)3, Dc = 1.676 g/cm3, Mr = 402.84, Z = 4, F(000) = 820, μ = 1.404 mm-1, the final R = 0.0237 and wR = 0.0693. The Cu(II) ion is five-coordinated by two O atoms from two pdc ligands, one N atom from another pdc ligand and two N atoms from the bpy ligand. The pdc anion, which acts as a tridentate ligand, links three Cu ions, forming(3,3)-connected two-dimensional(2D) sheets. We also studied the electronic structure and orbital energies of complex 1 by DFT methods, and the results are consistent with UV-vis spectrum. A new copper complex [Cu (pdc) (bpy)] · H2 O (1, H2 pdc = 3,5-pyridinedicarboxylic acid, bpy = 2,2-bipyridine) has been solvothermally synthesized and characterized by single- Complex 1 crystallizes in monoclinic system, space group P21 / c, a = 10.893 (2), b = 7.3641 (15), c = 1.9921 4 = .16, β = 92.16 3, V = 1596.9 63, Dc = 1.676 g / cm3, Mr = 402.84, Z = 4, F (000) = 820, μ = 1.404 mm-1, the final R = 0.0237 and wR = 0.0693. The Cu (II) ions are five-coordinated by two O atoms from two pdc ligands, one N atom from another pdc ligand and two N atoms from the bpy ligand. The pdc anion, which acts as a tridentate ligand, links three Cu ions, forming (3,3) -connected two-dimensional (2D) sheets. We also studied the electronic structure and orbital energies of complex 1 by DFT methods, and the results are consistent with UV -vis spectrum.
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