Synthesis, Property And Quantum Chemical Study Of Metal Porphyrins And Metal Complexes Containing Hetero Atom Ligands

A series of metal porphyrins have been synthesized. Two single crystal structures of (5,10,15,20-tetraphenylporphyrinato)copper(II) and (α-aminopyridine-N)-(5,10,15,20-tetraphenylporphyrinato)cadmium(II) acetone solvate have been obtained by X-ray single diffraction analyses and these two complexes have also been characterized by EA, IR and UV. Additionally, the electrochemistry investigations on the interactions between above two compounds and RNA were performed by using cyclic voltammetric approach. Analytical results showed that the metallic centers of the two compounds strongly binded to RNA.The quantum chemical calculations have been performed on metal porphyrins. 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 have been performed with the Gaussian03 software package. We have calculated molecular geometrical model, electronic spectra, vibrational spectra of compounds and found calculational results are in good agreement with experimental results, which provide useful information for the further study on metal porphyrins.A series of complexes containing hetero atom ligands have been synthesized. Two single crystal structures of diethylenetriamino-trioxo-molybdenum(VI) and dichlorobis[2-chloro-5-(chloromethyl)pyridine]copper(II) have been obtained by X-ray single diffraction analyses and these two complexes have also been characterized by EA, IR and UV. A series of complexes containing hetero atom ligands have been synthesized. The electrochemical properties of [MoO₃(NH₂C₂H₄NHC₂H₄NH₂)] and [CuCl₂(C₆H₅Cl₂N)₂] have been studied by cyclic voltammetric approach. The results...