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Abstract
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Nano-structures of a new supramolecular coordination compound of divalent nickel with the pyrazol
(pzH) containing the terminal azide anions, [Ni(pzH)2(N3)2](1), with discrete molecular architecture
(DMA) in solid state was synthesized via sonochemical method. The new nanostructure was characterized by scanning electron microscopy, X-ray powder diffraction, IR, and elemental analysis. Compound
1was structurally characterized by single crystal X-ray diffraction and the single-crystal X-ray data
shows that the coordination number of Ni (II) ions is six, (NiN6), with four N-donor atoms from neutral
‘‘pzH” ligands and two N-donors from two terminal azide anions. The supramolecular features in these
complexes are guided and controlled by weak directional intermolecular interactions. The structure of
the title complex was optimized by density functional theory calculations. Calculated structural parameters and IR spectra for the title complex are consistent with the crystal structure. The NiO nanoparticles
were obtained by thermolysis of 1 at 180C with oleic acid as a surfactant
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