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

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 pr...

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Bibliographic Details
Published inZhurnal Belorusskogo gosudarstvennogo universiteta. Khimii͡a no. 2; pp. 3 - 11
Main Authors Matulis, Vitaly E., Ragoyja, Ekaterina G., Serebryanskaya, Tatiyana V., Grigoriev, Yuri V., Ivashkevich, Oleg A.
Format Journal Article
LanguageRussian
Belarusian
Published Belarusian State University 30.08.2019
Subjects
complexes
dft
geometrical structure
nmr-spectra
tetrazole
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Summary: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.
ISSN:2520-257X
2617-3980
DOI:10.33581/2520-257X-2019-2-3-11