Synthesis, antimicrobial, and computational studies of some complexes based on dithiocarbamate derivatives
DOI:
https://doi.org/10.64354/0j13kr65Keywords:
dithiocarbamate , antimicrobial properties, computational study, matel complexAbstract
Dithiocarbamate derivatives are one of the compounds that have received wide attention. It contains the NCS2 group, which makes it of biological, medical, and chemical interest. The thiocarbamate compounds are distinguished by their ease of preparation, as they are good ligands for forming complexes with various metals. In this work, I synthesized three dithiocarbamate ligands containing morpholine, piperidine, and the pyrrolidine moiety and used them as chelators for zinc and cobalt. Ligands are diagnosed by elemental analysis, 1H and 13C-NMR, and FT-IR. Zn(II) and cobalt (II) bis(alkyldithiocarbamate) were prepared and diagnosed by using spectral techniques.The FT-IR spectra indicate that symmetrical bidentate coordination of dithiocarbamate took place through the two sulphur atoms. The mass spectra, UV-Vis spectra, conductance measurement, elemental analysis, and magnetic moment analysis support the suggested geometry for complexes. Ligands and their complexes were evaluated against positive-gram bacteria (Bacillus sbtillus and Staphylococcus aureus) and fungi (Candida albicans). The synthesized complexes were more effective against Bacillus subtilis than Staphylococcus aureus. It has a moderate effect on Candida albicans. Geometrical optimisation of complexes studied by using hyperchem 0.8 theoretical study included the calculation of bond angle, dipole moment, many energy types such as HOMO and LOUMO orbitals, gap energy, and QSAR properties.
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