A Novel Polymeric Lead(II)‐Azido Compound: Synthesis, Structural Characterization, and DFT Calculations of [Pb(dmp)(N3)2]n

Abstract A novel 1D Pb II coordination polymer containing Pb 2 ‐(μ‐N 3 ) 2 unit [Pb(dmp)(N 3 ) 2 ] n (dmp = 2,9‐dimethyl‐1,10‐phenanthroline) has been prepared and characterized. Single‐crystal X‐ray diffraction analyses show that the coordination number for Pb II ions is six, PbN 6 , with “stereochemically active” electron lone pairs and the coordination sphere being hemidirected. The single‐crystal X‐ray data show the chains interact with each other through the π–π stacking interactions, which create a 3D framework. The structure of title complex has been optimized by density functional theory. Structural parameters and IR spectra for the complex are in agreement with the crystal structure.