System Of Metal Organic Complexes Of Heterocyclic Synthesis And Crystal Structure Study

Metal-organic coordination polymers, a new kind of molecule materials, have attracted much more attentions for their flexible tailoring, various topologies and promising application in ion-exchange, molecular recognition, gas storage, molecular magnetism catalysts along with non-liner optics and enantioselective separations. It has become one of the novel areas of chemistry.The geometric configuration of ligand and the coordination tendency of metal cation should be considered when constructing the coordination polymers. In this paper, we designed and synthesized six N-heterocyclic ligands, which are V-shape or chain shape. Based on these ligands five crystals were prepared by hydrothermal syntheses and volatilization, and all of them were characterized by X-ray single crystal diffraction. Some conclusions are drawn by our research: first, among three crystals with different ligands. The main intermolecular attraction in the crystal of JT-1 is van der Waals force, but for JT-2 and JT-5, hydrogen bond is the main intermolecular attraction because water molecules are involved in the crystals. It is worth noting that we got the same crystal (JT-5) by reacting two different ligands with CdCl2 in the same hydrothermal condition. And we try to explain this by theoretical computation. It is found that the energy of JT-5 is the lowest according to calculation results. So the meta and para-structure molecular is transferred into ortho-structure molecule with lower energy in hydrothermal condition. Moreover, we got two different metal-organic coordination polymers in the same condition. One is two-dimensional plane network structure and the other is column shape. This provides some useful data for us to understand the process of self-assembly.