Recent Advances in the Structure Elucidation of d10 transition metal Complexes based on 16-membered ring macrolide Drug

Abstract

The present innovation outlines theoretical and spectroscopic investigations on a tylan® ligand and some of its d¹⁰ transition metals complexes. Tylan act in a bidentate coordination manner through donor atoms of oxygen and nitrogen in its structure. Two essentials tylan metal complexes were synthesized and characterized depending on their elemental analysis, molar conductivity and spectral studies (FT-IR and Mass spectra). The very low value of molar conductivity of complexes demonstrates their non-electrolytic nature. From experimental studies, general structures of these new complexes were assumed as formula [M(TYS)X₂(H₂O)₂], [where TYS = Tylan ligand; M = Hg(II) and Cd(II); X = Cl⁻]. Based on spectroscopic studies, an octahedral geometry has been suggested for both complexes. Molecular modelling by Gaussian 09 software has been employed to give further light on bonding properties in addition to theoretically confirm binding sites of tylan ligand and its new synthesized metal complexes. The quantum chemical reactivity parameters such as chemical hardness, chemical potential, electronegativity, electrophilicity index and Homo-Lumo energy gap were obtained theoretically. The thermal analysis by TG-DTA indicated that the complex has three consecutive phases of decomposition ended by formation of divalent metal oxide; CdO as a final product While in case of Hg complex no metal oxide formation due to Hg(II) sublimation. The kinetic thermodynamic parameters have been calculated utilizing DTA curves. This study explained that tylan ligand can form five-membered ring with metal ion Cd(II) and Hg(II) during formation of complexes which give high stability for the synthesized complexes.