Date: 22 Sep 2012

Sonochemical Synthesis and Structural Characterization and DFT Calculations of a Novel Nano Flower Pb(II) Coordination Compound [Pb(phen)2 (4-abs)2 ]n

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Nano-structures of a new coordination polymer of divalent Pb with the ligands 1,10-phenanthroline (phen) and 4-aminobenzene sulfonic acid (4-abs), [Pb(phen)2(4-abs)2]n (1), were synthesized by a sonochemical method that produced a coordination polymer of nanometer size. The new nano-structure was characterized by scanning electron microscopy, X-ray powder diffraction and IR spectroscopy and elemental analysis. Compound 1 was structurally characterized by single crystal X-ray diffraction and showed that the coordination number of the Pb(II) ions is six; i.e. (PbN4O2). Compound 1 also has a stereochemically active lone pair of electrons and a hemi-directed coordination sphere. The chains interact with each other through π–π stacking to create a 3D framework. The structure of 1 was optimized by density functional theory calculations. The calculated structural parameters and IR spectra of 1 are consistent with the crystal structure.