Academician Ali Guliyev Institute of Chemistry of Additives (ICA) of the Ministry of Science and Education of the Republic of Azerbaijan continues fruitful cooperation with Baku State University (BSU) in the field of integration of science with education. According to information given by the Institute, the important results of scientific research conducted by doctoral student Tahir Javadzadeh under the guidance of the Executive Director of the ICA, Doctor of Chemical Sciences Afsun Sujayev and the Head of the Department of Analytical Chemistry of BSU, Doctor of Chemical Sciences, Professor Famil Chiragov were published in the form of an article in the journal “Polyhedron” (impact -factor 3.052) of the world-famous Elsevier Publishing House, which is archived in the Web of Science database (Tahir Javadzadeh, Irada Rzayeva, Svetlana Demukhamedova, Gulnara Akverdiyeva, Vagif Farzaliyev, Afsun Sujayev, Famil Chiragov, Synthesis, structural analysis, DFT study, antioxidant activity of metal complexes of N-substituted thiorea, Volume 231, 1 February 2023, 116274, https://doi.org/10.1016/j.poly.2022.116274).
According to information received from the institute, the article is devoted to the detailed study of the synthesis of N-substituted thiocarbamides and their metal complexes, and their structures using modern physical and chemical methods. The geometric, energy and electronic parameters that characterize the stable structures of these compounds are determined, the energies of boundary molecular orbitals, the energy cavity, descriptors of chemical reactivity, atomic weight, dipole moment and polarization ability are calculated on the basis of the theory of functional density, the places of electrophilic and nucleophilic regions are determined, where molecular interactions can occur for the reagent and the complex, electron density transfer and hyperconjugative interactions have been elucidated. It has been established that the parameters of the proposed models of thiocarbamide and its complex overlap in practical and theoretical parameters. At the same time, the antioxidant features of the synthesized compounds were studied in model reactions, it was found that these compounds have high inhibitory properties against the oxidation of lubricants.
