Copper And Other Transition Metal Complexes With The Structure Of Nanomaterials, Theoretical Calculations And Nature Study

The organic ligands, such as 1,2-bis(2-benzimidazolyl)ethane and N-heterocyclicSchiff base ligands containing oxygen and nitrogen as donor atoms and sulfur-containinggraphite oxide, were synthesized and selected. The transition metals, such as Cu, Co, Feand Ni et al., were complexed with the above ligands and then the correspondence complexnano-structure materials were obtained. Their structures, morphologies and properties werecharacterized by IR, Raman spectroscopy, XRD,TEM and TG/DTA. The effects of variousfactors, which contained temperature, time, pH value and pressure et al., on structures,crystallinity, morphology, dispersivity of products were analyzed and summarizedsystematically. Some interesting nano structures, such as the irregular interpenetratedporous nano structure, layer structures, nano rod and nanotube, were obtained in productsand their assemble mechanisms were also investigated.Theoretical models of coordination of transition metals complexed withsulfur-containing graphite oxide were builded. Based on this models, the energy bands andPDOS (partials density of states)of the four complexes were calculated with CASTEPmodule from Materials studio software package. The results show that the electricalconductivity of complexes was poorer than natural graphite's. The contributions of p orbits,which come from carbons on graphite oxides, on frontier energy bands were the greatest.The thermo-decomposition of AP are also carried out with the Cu-containingcomplexes as catalyst. The complex of sulfur-containing graphit oxide and Cu(â…¡) canperform the best catalyze efficacy on the high & low decomposition temperatures of AP.Decomposition temperature of AP was reduced by mixing One-dimensionalnano-materials(nano rod,nano tube,nano cambiform) among AP. These One-dimensionalnano-materials played catalysis effect. Low decomposition temperature of AP was delayedby mixing zero-dimensional nano-materials(graininess,block) among AP. Thesezero-dimensional nano-materials played inhibition effect.