Molecular Computation and Antibacterial Activity of Cu (II) Complex of Naphthaldehyde Thiosemicarbazone

Copper (II) complex of naphthaldehyde thiosemicarbazone (L) has been synthesized and characterized by melting points, conductance, magnetic, infrared, and ESI-MS spectral measurements in addition to elemental analysis. A tetrahedral structure is suggested for the complex. The antibacterial activities of the complex and ligand were evaluated by the disc diffusion technique. Pure bacteria cultures of Bacillus subtilis (Gram-positive) and Escherichia coli (Gram-negative) were used to check the antibacterial activities of the synthesized compounds. Antibacterial activities were compared by measuring the inhibition zone diameter and chloramphenicol was used as a reference. Both the compounds showed significant antibacterial activity in different range against gram-positive & gram-negative bacteria. The antibacterial activity data also show that the Cu(II) complex to be more effective than the parent ligand. Molecular geometry of the complex has been optimized by ChemDraw Ultra 12.0 and then MM2 calculation has been done.