A novel ligand N,N '-di(2-pyridyl)-2,4-diamino-6-phenyl-1,3,5-triazine (dpdapt) and its complexes: [Cu(dpdapt)Cl-2] and [Cu(dpdapt)(NO3)(H2O)] center dot NO3 center dot H2O

作者：Wang CJ; Wang YY^*; Ma HR; Wang H; Shi QZ; Peng SM

来源：Polyhedron, 2006, 25(1): 195-202.

DOI：10.1016/j.poly.2005.06.061

• novel ligand
• copper(II) complexes
• crystal structure
• supramolecular compounds
• DFT studies

The novel ligand N,N'-di(2-pyridyl)-2,4-diamino-6-phenyl-1,3,5-triazine (dpdapt) has been synthesized and the reactions of CuCl2 center dot 2H(2)O and Cu(NO3)(2) - 8H(2)O with the new ligand afforded two crystalline forms [Cu(dpdapt)Cl-2] (1) and (Cu(dpdapt)(NO3)(H2O)] center dot NO3 center dot H2O (2), respectively. The molecular structures of 1 and 2 were established by single-crystal X-ray diffraction studies. The copper(II) atoms in complexes 1 and 2 are both five-coordinated in trigonal bipyramidal environments. In 1, antiparallel dimers construct a two-dimensional supramolecular architecture by pi-pi stacking and hydrogen bonding, whereas 2 is connected by the same interactions to form a three-dimensional supramolecular framework. Quantum chemical calculations have been performed using Density Functional Theory (DFT) in order to gain some insight about the coordination behavior of dpdapt and complex 1.

• 单位
  西北大学