Crystal Structure and Photoluminescent Property of Pb(II) and Co(II) Complex Based on 2-Phenyl-1H-1,3,7,8-tetra-azacyclopenta[l]phenanthrene

Two complexes, [Pb-2(ptcp)(2)(DDA)] (NO3)(2)center dot 2H(2)O (1) and [Co (ptcp)(2)(DDA) (H2O)]center dot 0.5H(2)DDA center dot H2O (2) (ptcp=2-phenyl-1H-1,3,7,8-tetra-azacyclopenta[l]phenanthrene, H(2)DDA=1,12-dodecanedioic acid), have been hydrothermally synthesized and structurally characterized by single-crystal X-ray diffraction, elemental analyses, IR, powder X-ray diffraction and theoretical calculations. Complexes 1 and 2 exhibit binuclear and mononuclear structure, which are further extended to two-dimensional and three-dimensional structure through pi-pi stacking interactions and hydrogen bonds, respectively. Furthermore, complex 1 exhibits excellent photoluminescence at room temperature in the solid state. Natural bond orbital (NBO) analysis was performed by the B3LYP/LANL2DZ method in Gaussian 09W Program. The calculation results show the obvious covalent interaction between the coordinated atoms and PIM ion. CCDC: 997822, 1; 997823, 2.