Study of structure and properties of platinum(II) chloride complexes with (2-alkyltetrazol-5-yl)acetic acid by quantum chemistry and NMR-spectroscopy methods

  • Vitaly E. Matulis Research Institute for Physical Chemical Problems of the Belarusian State University
  • Ekaterina G. Ragoyja Belarusian State University, 4 Niezaliežnasci Avenue, Minsk 220030, Belarus https://orcid.org/0000-0002-8344-8438
  • Tatiyana V. Serebryanskaya Research Institute for Physical Chemical Problems, Belarusian State University, 14 Lieninhradskaja Street, Minsk 220006, Belarus
  • Yuri V. Grigoriev Research Institute for Physical Chemical Problems, Belarusian State University, 14 Lieninhradskaja Street, Minsk 220006, Belarus https://orcid.org/0000-0002-8153-835X
  • Oleg A. Ivashkevich Belarusian State University, 4 Niezaliežnasci Avenue, Minsk 220030, Belarus
DOI: https://doi.org/10.33581/2520-257X-2019-2-3-11

Abstract

It has been shown that the WP04 functional in combination with moderate basic sets 6-31G(d) and SDD allows to calculate characteristics of 1H NMR-spectrum of metal complexes with ligands based on tetrazole derivatives with high accuracy, which can be used to assign signals in the NMR-spectra. The process of hydrolysis of the isomeric platinum(II) chloride complexes with (2-isopropyltetrazol-5-yl)acetic acid has been investigated using the methods of quantum chemistry and NMR-spectroscopy. An explanation of the changes of signals in the 1H NMR-spectra of the considered complexes during their hydrolysis is given.

Author Biographies

Vitaly E. Matulis, Research Institute for Physical Chemical Problems of the Belarusian State University

PhD (chemistry), docent; senior researcher at the laboratory of chemistry of condensed systems

Ekaterina G. Ragoyja, Belarusian State University, 4 Niezaliežnasci Avenue, Minsk 220030, Belarus

student at the faculty of chemistry

Tatiyana V. Serebryanskaya, Research Institute for Physical Chemical Problems, Belarusian State University, 14 Lieninhradskaja Street, Minsk 220006, Belarus

PhD (chemistry); senior researcher at the laboratory of chemistry of condensed systems

Yuri V. Grigoriev, Research Institute for Physical Chemical Problems, Belarusian State University, 14 Lieninhradskaja Street, Minsk 220006, Belarus

PhD (chemistry); head of the laboratory of chemistry of condensed systems

Oleg A. Ivashkevich, Belarusian State University, 4 Niezaliežnasci Avenue, Minsk 220030, Belarus

academician of the National Academy of Sciences of Belarus, doctor of science (chemistry); first vice-rector

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Published
2019-08-29
Keywords: tetrazole, complexes, DFT, NMR-spectra, geometrical structure
Supporting Agencies This work has been performed with a financial support of Belarusian Republican Foundation for Fundamental Research (grant No. X16P-036).
How to Cite
Matulis, V. E., Ragoyja, E. G., Serebryanskaya, T. V., Grigoriev, Y. V., & Ivashkevich, O. A. (2019). Study of structure and properties of platinum(II) chloride complexes with (2-alkyltetrazol-5-yl)acetic acid by quantum chemistry and NMR-spectroscopy methods. Journal of the Belarusian State University. Chemistry, 2, 3-11. https://doi.org/10.33581/2520-257X-2019-2-3-11
Issue
No 2 (2019): Journal of the Belarusian State University. Chemistry
Section
Original Articles

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