Computational approach on architecture and tailoring of organic metal complexes derived from streptomycin and Zn, Cd and Pb: antimicrobial effectiveness

Abstract

AbstractStreptomycin has been used to derive organic metal complexes (OMCs) after metallation with ZnCl2, CdCl2 and PbCl2 and characterized by elemental analysis, electronic and vibrational spectroscopy, 1H and 13C NMR, mass spectroscopy (time‐of‐flight MS), magnetic measurement, thermal decomposition analysis (TGA, DTA), molecular modeling and X‐ray powder diffraction. OMCs are monomeric. Crystal system, lattice parameters, unit cell, particle size and volume of crystalline OMCs have been determined using X‐ray powder diffraction pattern analysis. The geometries of complexes were optimized on the basis of molecular modeling. Kinetic parameters were computed from thermal analysis, confirming first‐order kinetics. Molecular models have been optimized by MM2 calculations. Architecture and tailoring of the rationally designed and synthesized supramolecular models having covalent bonded oxygen or other molecular contacts extended through Huckel Charge Distribution in highest occupied molecular orbit (HOMO). Antimicrobial effectiveness of OMCs has been reported. Copyright © 2011 John Wiley & Sons, Ltd.