Efficient Synthesis, Spectral, Characterization, Antimicrobial and DFT Studies of Antimony(III) Dithiocarbamates

Abstract

The synthesis and characterization of novel antimony(III) dithiocarbamate complexes tris(N-furfuryl-N-propyldithiocarbamato-S,S′)antimony(III) (1) and tris(N-furfuryl-N-butyldithiocarbamato-S,S′)antimony(III) (2) have been characterized by elemental analysis, FT-IR, NMR (¹H and ¹³C) spectra and antimicrobial studies. The characteristic thioureide (ν_C-N) bands occur at 1462 and 1475 cm^-1 for complex 1 and 2, respectively. The theoretical calculations of the complexes have been carried out by density functional theory (DFT). The FMOs, MEP, Mulliken charge distribution and chemical activity parameters of the optimized structure have been calculated at the same level of theory. The MEP structure indicated that the positive and negative potential sites are around hydrogen atoms and electronegative atoms of the studied complexes, respectively. The Agar-well diffusion method were used to study the antimicrobial activity of the complexes against two Gram-positive bacteria (Klebsiella pneumoniae and Staphylococcus aureus), two Gram-negative bacteria (Escherichia coli and Vibrio cholera) and two fungal organisms (Candida albicans and Aspergillus niger).