摘要
A new Co（ll） coordination polymer has been successfully synthesized under hydrothermal conditions [Co（C2O4）（mbix）]n （1, H2C2O4 = oxalic acid, mbix = 1,3-bis（imidazol- l-ylmethyl）benzene）. Its structure has been determined by elemental analyses, IR, UV spectroscopy and single-crystal X-ray diffraction analysis. Pink crystals crystallize in the triclinic system, space group PI with a = 8.8666（7）, b = 9.5859（8）, c = 10,8537（9） A,α = 67.6810（10）,β= 66.1260（10）, γ = 77.1300（10）°, V= 777.77（11）, CI6HI4CoN404, Mr = 385.24, Dc = 1.645 g/cm3, F（000） = 394, Z= 2,/z（MoKa） = 1.134 mm% the final R = 0.0482 and wR = 0.1231 for 2968 observed reflections （I〉 2σ（I））. It shows a two-dimensional （2D） network structure. The intermolecular C-H…O hydrogen bonding and π-π stacking interactions extend complex 1 into a 3D supramolecular architecture and play an important role in stabilizing 1. In addition, Natural Bond Orbital （NBO） analysis was performed by using the PBE0/LANL2DZ method built in Gaussian 09 Program. The calculation results showed obvious covalent interaction between the coordinated atoms and Co（II） ion.
A new Co（ll） coordination polymer has been successfully synthesized under hydrothermal conditions [Co（C2O4）（mbix）]n （1, H2C2O4 = oxalic acid, mbix = 1,3-bis（imidazol- l-ylmethyl）benzene）. Its structure has been determined by elemental analyses, IR, UV spectroscopy and single-crystal X-ray diffraction analysis. Pink crystals crystallize in the triclinic system, space group PI with a = 8.8666（7）, b = 9.5859（8）, c = 10,8537（9） A,α = 67.6810（10）,β= 66.1260（10）, γ = 77.1300（10）°, V= 777.77（11）, CI6HI4CoN404, Mr = 385.24, Dc = 1.645 g/cm3, F（000） = 394, Z= 2,/z（MoKa） = 1.134 mm% the final R = 0.0482 and wR = 0.1231 for 2968 observed reflections （I〉 2σ（I））. It shows a two-dimensional （2D） network structure. The intermolecular C-H…O hydrogen bonding and π-π stacking interactions extend complex 1 into a 3D supramolecular architecture and play an important role in stabilizing 1. In addition, Natural Bond Orbital （NBO） analysis was performed by using the PBE0/LANL2DZ method built in Gaussian 09 Program. The calculation results showed obvious covalent interaction between the coordinated atoms and Co（II） ion.
基金
supported by the Science and Technology Development Project of Jilin Provincial Science&Technology Department(201205080)
the Science and Technology Research Projects of the Education Office of Jilin Province(No.2013.384)
