Citation: GUO Rui, QI Xi-Wei, XIE Cheng-Zhi, ZHONG Bing-Wen, LIU Xuan-Wen, ZHANG Yue-Hong, SU Na. Synthesis, Crystal Structure, Magnetic Property and DFT Study of a Novel 2D Polymer[Cu(pdc)(bpy)]·H₂O[J]. Chinese Journal of Structural Chemistry, ;2014, 33(2): 270-276. shu

Synthesis, Crystal Structure, Magnetic Property and DFT Study of a Novel 2D Polymer[Cu(pdc)(bpy)]·H₂O

1.
a Hebei Provincial Laboratory of Dielectric and Electrolyte Materials, Northeastern University at Qinhuangdao BRANCH, Qinhuangdao 066004, China;
2.
b Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics(Theranostics) School of Pharmacy, Tianjin Medical University, Tianjin 300070, China

Received Date: 14 August 2013
Available Online: 26 December 2013
Fund Project: Supported by Natural Science Foundation of Hebei Province (No.E2013501135) (No.E2013501135)program for New Century Excellent Talents in University (NCET-10-0304) (NCET-10-0304)

A new copper complex[Cu(pdc)(bpy)]·H₂O (1, H₂pdc=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 measurements. Complex 1 crystallizes in monoclinic system, space group P2₁/c, a=10.893(2), b=7.3641(15), c=1.9921(4) Å, β=92.16(3)Å, V=1596.9(6) Å³, D_c=1.676 g/cm³, M_r=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.
- pyridinedicarboxylic acid,
- solvothermal synthesis,
- 2D structure,
- UV-vis,
- magnetic properties
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