Synthesis, DFT Calculation, and Antimicrobial Studies of Novel Zn(II), Co(II), Cu(II), and Mn(II) Heteroleptic Complexes Containing Benzoylacetone and Dithiocarbamate

Abstract

Heteroleptic complexes of zinc(II), copper(II), manganese(II), and cobalt(II) of the types [MLL′(H2O)2]·nH2O and [MLL′]·nH2O have been synthesized using sodium N-methyl-N-phenyldithiocarbamate (L) and benzoylacetone (L′). The metal complexes were characterized by elemental analysis, electrical conductance, magnetic susceptibility, infrared (IR), and UV-visible spectroscopic studies. The electrical conductance measurements revealed the nonelectrolytic nature of the synthesized complexes. The results of the elemental analyses, magnetic susceptibility measurements, and electronic spectra inferred that the Zn(II) complex adopted a four-coordinate geometry while the Co(II), Cu(II), and Mn(II) complexes assumed octahedral geometries. The IR spectra showed that the metal ions coordinated with the ligands via the S- and O-donor atoms. The geometry, electronic, and thermodynamic parameters of the complexes were obtained from density functional theory (DFT) calculations. The spin density distributions, relative strength of H–bonds, and thermodynamic parameters revealed that the order of stability of the metal complexes is Mn < Co < Cu > Zn. The agar diffusion methods were used to study the antimicrobial activity of the complexes against two Gram positive bacteria (S. aureus and S. pneumoniae), one Gram negative bacterium (E. coli), and two fungi organisms (A. niger and A. candida) and the complexes showed a broad spectrum of activities against the microbes.

Organotin(IV) Dithiocarbamate Complexes: Chemistry and Biological Activity

“…Several metal dithiocarbamate complexes have been synthesized simply by the reaction of dithiocarbamate ligand with the corresponding metal salts in an appropriate solvent [ 43 , 44 , 45 , 46 , 47 , 48 , 49 ]. The metal dithiocarbamate complexes formed are often via simple metathesis with corresponding metal salt [ 15 , 50 ].…”

Synthesis, Structural Characterization, and Antibacterial Activity of Novel Erbium(III) Complex Containing Antimony

“…The antimicrobial activities of these compounds were determined qualitatively by agar diffusion method [54]. The inhibition was labeled as the diameter of bacteriostatic circle.…”

Dithiocarbamates: Challenges, Control, and Approaches to Excellent Yield, Characterization, and Their Biological Applications

“…On a similar note, Ekennia et al stated that adducts formation were the interaction of metal complexes with several coordinating Lewis bases leading to retaining of the oxidation state, but an increased coordination number of metal ion in a coordination compound [46]. Obviously, the physical properties of adducts are different considerably from the parent coordination compound, which have influences on their various applications, such as photosensitizers and biological activities.…”

“…Obviously, the physical properties of adducts are different considerably from the parent coordination compound, which have influences on their various applications, such as photosensitizers and biological activities. Factors affecting adducts formation are coordinated ligand geometry, Lewis acid capability to accept π electrons, and central metal ionic size [46] (Schemes 1 and 2).…”