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Sonochemical Synthesis of a Novel Nanoscale Lead(II) Coordination Polymer: Synthesis, Crystal Structure, Thermal Properties, and DFT Calculations of [Pb(dmp)(μ‐N 3 )(μ‐NO 3 )] n with the Novel Pb 2 (μ‐N 3 ) 2 (μ‐NO 3 ) 2 Unit
Author(s) -
Shaabani Behrouz,
Mirtamizdoust Babak,
Viterbo Davide,
Croce Gianluca,
Hammud Hassan,
HojatiLalemi Pejman,
Khandar Aliakbar
Publication year - 2011
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.201000426
Subject(s) - crystallography , single crystal , coordination polymer , crystal structure , coordination number , lone pair , stacking , ligand (biochemistry) , infrared spectroscopy , coordination sphere , powder diffraction , density functional theory , materials science , coordination complex , chemistry , ion , molecule , computational chemistry , metal , organic chemistry , biochemistry , receptor
A new nanostructured coordination polymer of divalent lead with the ligand 2,9‐dimethyl‐1,10‐phenanthroline (dmp), [Pb(dmp)(μ‐N 3 )(μ‐NO 3 )] n ( 1 ), was synthesized by sonochemical methods. The polymer was characterized by scanning electron microscopy, X‐ray powder diffraction, IR, 1 H NMR, and 13 C NMR spectroscopy, and elemental analyses. Compound 1 was structurally characterized by single‐crystal X‐ray diffraction. The single‐crystal analysis shows that the coordination number of Pb II ions is seven, (PbN 4 O 3 ) has a “stereo‐chemically active” electron lone pair, and the coordination sphere is hemidirected. The chains interact with each other through π–π stacking interactions to create a 3D framework. The structure of the title complex was optimized by density functional calculations. The calculated structural parameters and the IR spectrum of the title complex are in agreement with the crystal structure.