Synthesis, Characterization And Quantum Chemical Study Of Azide And Isonicotinato Metal Compounds

A series of mononucleus azide compounds have been synthesized by hydrothermal method. Five compounds of [Mn(N₃)₂(bipy)₂], [Zn(N₃)₂(bipy)₂]·H₂O, [Cd(N₃)₂(bipy)₂](bipy=2,2'-bipyridin, [Mn(N₃)₂(phen)₂] ( phen=1,10-phenanthroline) and [Ag(N₃)(C₄H₆N₂)₂-H₂O] have been obtained and characterized by elemental analysis, IR ,UV spectra and X-ray single crystal diffraction. Thermal stability and electrochemical property of the compounds also have been studied.A series of compounds bridged by azide group have been synthesized by hydrothermal method. Two compounds of [Cu₂(N₃)₂(PPh₃)₄] and [Zn(N₃)(PyCOO)]_n have been obtained and synthesized by elemental analysis, IR spectra and X-ray single crystal diffraction. Thermal stability property of the compounds also have been studied.A series of isonicotinato compounds have been synthesized by hydrothermal method. Two single crystals of [Zn(C₆H₄NO₂)₂(H₂O)₄] and [Cd(C₆H₄NO₂)₂(H₂O)₄] have been obtained. Two compounds have been characterized by elemental analysis, IR, UV spectra and X-ray single crystal diffraction. Thermal stability and electrochemical property of the compounds also have been studied.The quantum chemical calculations have been performed on isonicotinato compounds . DFT calculations with a hybrid functional B3LYP (Becke's three parameter hybrid functional using the LYP correlation functional) at basis set LANL2DZ by the Berny method were performed with the Gaussian98 software...