Antimony(III) Dithiocarbamates: Synthesis, Spectral, Theoretical and Biological Activities

Abstract

Antimony(III) dithiocarbamate complexes tris(N,N-difurfuryldithiocarbamato-S,S′)antimony(III) (1) and tris(N-furfuryl-N-(2-phenylethyl)dithiocarbamato-S,S′)antimony(III) (2) have been synthesized and characterized by CHN analysis, FT-IR, 1H NMR, 13C NMR spectra and antimicrobial studies. The characteristic thioureide ν(C-N) bands occur at 1459 and 1469 cm-1 for complexes 1 and 2, respectively. 1H NMR and 13C NMR chemical shifts have been calculated using GIAO approach and the calculated chemical shifts shows good agreement with experiential shifts. The computational calculations of the antimony(III) complexes have been carried out by DFT/B3LYP using LANL2DZ basis set. The FMOs, MEP, Mulliken charge distribution and chemical activity parameters were calculated at the same level of theory. The antimicrobial activities of the antimony(III) complexes were assayed at the concentrations 400 and 800 μg/mL against four bacterial (Vibrio cholera, Staphylococcus aureus, Klebsiella pneumoniae and Escherichia coli) and two fungal species (Candida albicans and Aspergillus niger) by Agar-well disc diffusion method.