Speakers

Biography

Professor Vladimir Voronov's research interests are related to solving molecular spectroscopy and physico-organic chemistry problems using nuclear magnetic resonance and quantum chemistry methods. In addition, for the last twenty years or so, his research interests have included scientific and methodological issues related to cognitive barriers of university students. He is the author of over three hundred periodical publications, including over thirty books. He received a number of awards established by the Russian Academy of Natural Sciences, including the Gold Medal "For innovative work in the field of higher education"—member of the American Chemical Society.

Abstract

Compounds is of particular importance. Non-empirical quantum-chemical calculations were used. Complexes of triethanolamine with ZnCl₂ and CdCl₂ were studied using quantum chemistry and NMR spectroscopy. Triethanolamine complexes are prone to ligand exchange, which makes them suitable as metal transporters. Therefore, research into the biological action of such performed by the B3LYP method using the Gaussian 09 software package. The obtained experimental data indicate that changes in the NMR spectrum shifts are accompanied by an increase in the spin-spin coupling constants, with the ¹J (C, H) constants of the methylene group associated with nitrogen being the most significant. Based on the conducted NMR spectrum analysis, the authors propose a scheme for describing the structure and intermolecular dynamics of the complexes under study. A series of quantum-chemical calculations was carried out to elucidate the observed changes in the NMR spectra of triethanolamine in the process of complex formation. According to the obtained theoretical and experimental results, the complexes under study are characterized by intermolecular metabolic processes that lead to the averaging of NMR signals from various compounds in the solution. For triethanolamine complexes with CdCl₂, the existence of bi- and tricyclic forms is equally probable. For triethanolamine complexes with ZnCl₂, the tricyclic form seems to be more beneficial.

    Voronov V.K., Dudareva O.V., Funtikova E.A. Research into triethanolamine complexes with ZnCl₂ and CdCl₂ using NMR Spectroscopy and Quantum Chemistry methods. Proceedings of Universities. Applied Chemistry and Biotechnology. 2020, vol.10(4), p. 548–555.