Premium
A Novel Polymeric Lead(II)‐Azido Compound: Synthesis, Structural Characterization, and DFT Calculations of [Pb(dmp)(N 3 ) 2 ] n
Author(s) -
Shaabani Behrouz,
Mirtamizdoust Babak,
Shadman Muhammad,
Fun HoongKun
Publication year - 2009
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.200900288
Subject(s) - stacking , crystallography , lone pair , crystal structure , density functional theory , single crystal , coordination number , coordination polymer , ion , diffraction , materials science , chemistry , coordination sphere , characterization (materials science) , molecule , nanotechnology , computational chemistry , physics , organic chemistry , optics
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.