Abstract
A novel 1D Pb-II coordination polymer [Pb(dmp)](2)](n) (1) (dmp = 2,9-dimethyl-1,10-phenanthroline) containing a Pb-2-(mu-I)(2) unit was synthesized and characterized by elemental analysis, IR, H-1 NMR, and C-13 NMR spectroscopy and studied by thermal analysis as well as X-ray crystallography. The single-crystal X-ray data show that the coordination number of Pb-II ions is six, i.e. PbN2I4, with "sterco-chemically active" electron lone pairs, and the coordination sphere is asymmetrical. They also show that the chains interact with each other through pi-pi stacking interactions, which create a 3D framework. The structure of the title complex has been optimized by density functional theory calculations. The calculated structural parameters and the IR spectra of the title complex are in agreement with the crystal structure.