Voltammetric Determination of Molecular Modeling Parameters for Pentaazamacrocyclic Complexes of Mn(II) and Co(II)

In present studies, [MnIILCl2] and [CoIILCl2] pentaazamacrocyclic complexes (where L=Dichloro-2,3-dimethyl[b]-pyridyl-3,6,9,12,15-pentaazacyclopentadeca-2,12-diene) have been synthesized by template method and characterized by microanalysis, UV-Vis, IR and mass spectral studies. On the basis of electronic spectral studies, the saddle-shape octahedral geometry has been assigned to these pentaazamacrocyclic complexes. Electrochemical studies of HOMO-LUMO energy levels of these pentaazamacrocyclic complexes have been carried out by using cyclic voltammetry. The onset oxidation and reduction potentials of [MnIILCl2] and [CoIILCl2] macrocyclic complexes were determined under the similar experimental conditions to calculate the ionization potential (Ip) and electron affinity (Ea) for these macrocyclic complexes. The molecular modeling parameters were also calculated from the calculation of HOMO-LUMO energy levels. The obtained values of these parameters are indicating that [MnIILCl2] macrocyclic complex is more stable than [CoIILCl2] complex. The biological activity of these macrocyclic complexes were also taken into account against E. coli, B. cereus, P. aeruginosa, S. aureus and C. albicans microbial pathogen and compared with the standard drug Gentamycin.