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

Authors

  • 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 (unauthenticated)
  • 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 (unauthenticated)
  • Oleg A. Ivashkevich Belarusian State University, 4 Niezaliežnasci Avenue, Minsk 220030, Belarus

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).

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

Issue

No. 2 (2019): Journal of the Belarusian State University. Chemistry

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Original Articles

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How to Cite

[1]
Matulis, V. E. et al. 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 (Aug. 2019), 3–11. DOI:https://doi.org/10.33581/2520-257X-2019-2-3-11.