Acta Phys. -Chim. Sin. ›› 2008, Vol. 24 ›› Issue (09): 1650-1654.doi: 10.3866/PKU.WHXB20080921

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Synthesis, Characterization and Quantum Chemistry Study of a One-dimensional Chain Coordination Polymer [Zn(acac)2(4,4’-bipy)]n

QIAN Bao-Hua; MA Wei-Xing; XU Xing-You; LU Lu-De; YANG Xu-Jie; WANG Xin   

  1. Materials Chemistry Laboratory, Nanjing University of Science &Technology, Nanjing 210094, P. R. China; Department of Chemical Technology, Huaihai Institute of Technology, Lianyungang 222005, Jiangsu Province, P. R. China
  • Received:2008-01-30 Revised:2008-06-05 Published:2008-09-10
  • Contact: LU Lu-De

Abstract: A novel one-dimensional zinc(II) coordination polymer [Zn(acac)2(4,4’-bipy)]n was solvothermally synthesized and characterized by IR, elemental analysis, thermal analysis, 1H NMR, and X-ray diffraction methods. The complex crystallized in monoclinic system, space group P2(1)/c with a=1.1366(10) nm, b=1.4914(14) nm, c=1.5534(10) nm, β=132.00(4)°, V=1.957(3) nm3, Z=4. It was confirmed that the Zn(acac)2 and 4,4’-bipy formed a one-dimension linear structure with molecular ratio of 1:1. The result of TG analysis showed that the title complex was stable under 197 ℃. The distribution of charges and the composition of frontier molecular orbits provided a good testimony for the coordination condition in the crystal structure.

Key words: Zinc (II) coordination polymer, Solvothermal synthesis, Crystal structure, Quantum chemistry calculation