Syntheses, Crystal Structure, Theoretical Calculation and Photophysical Properties of one Inorganic-Organic Hybrid Frameworks Based on Mixed Ligands

One novel Inorganic-Organic Hybrid compound [Pb(mip)(bidc)](n) (1) [mip = 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, bidc = 2,2 ' bipyridinyl-3,3 '-dicarboxylic acid] has been synthesized by hydrothermal reactions and characterized by thermogravimetrianalysis, elemental analysis, infrared spectrum and single-crystal X-ray diffraction. The single-crystal X-ray diffraction results suggest that compound 1 exhibits 1D chain structure, which is constructed from N-H center dot center dot center dot O hydrogen bonds. TG analysis results suggest that compound 1 has excellent thermal stability, the reason of that may be the existence of hydrogen bonds reinforces the structural stability. It is noteworthy that the metal ions Pb (II) are located in [:PbN2O4] pentagonal bipyramidal geometry in the title compound. The theoretical calculation analysis of 1 was performed by the PBE0/LANL2DZ method in Gaussian 03 Program to elucidate the essential electronic characters. The luminescent properties for the ligand mip and compound 1 are also discussed in detail.