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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Belarusian State University
2019-08-01
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| Series: | Журнал Белорусского государственного университета: Химия |
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| Online Access: | https://journals.bsu.by/index.php/chemistry/article/view/1193 |
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doaj-d3650f001d1d454a82c06a30fb9b427e2021-04-14T13:42:44ZbelBelarusian State UniversityЖурнал Белорусского государственного университета: Химия2520-257X2617-39802019-08-01231110.33581/2520-257X-2019-2-3-111193Study of structure and properties of platinum(II) chloride complexes with (2-alkyltetrazol-5-yl)acetic acid by quantum chemistry and NMR-spectroscopy methodsVitaly E. Matulis0Ekaterina G. Ragoyja1https://orcid.org/0000-0002-8344-8438Tatiyana V. Serebryanskaya2Yuri V. Grigoriev3https://orcid.org/0000-0002-8153-835XOleg A. Ivashkevich4Research Institute for Physical Chemical Problems of the Belarusian State UniversityBelarusian State University, 4 Niezaliežnasci Avenue, Minsk 220030, BelarusResearch Institute for Physical Chemical Problems, Belarusian State University, 14 Lieninhradskaja Street, Minsk 220006, BelarusResearch Institute for Physical Chemical Problems, Belarusian State University, 14 Lieninhradskaja Street, Minsk 220006, Belarus Belarusian State University, 4 Niezaliežnasci Avenue, Minsk 220030, BelarusIt 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.https://journals.bsu.by/index.php/chemistry/article/view/1193tetrazolecomplexesdftnmr-spectrageometrical structure |
| collection |
DOAJ |
| language |
Belarusian |
| format |
Article |
| sources |
DOAJ |
| author |
Vitaly E. Matulis Ekaterina G. Ragoyja Tatiyana V. Serebryanskaya Yuri V. Grigoriev Oleg A. Ivashkevich |
| spellingShingle |
Vitaly E. Matulis Ekaterina G. Ragoyja Tatiyana V. Serebryanskaya Yuri V. Grigoriev Oleg A. Ivashkevich Study of structure and properties of platinum(II) chloride complexes with (2-alkyltetrazol-5-yl)acetic acid by quantum chemistry and NMR-spectroscopy methods Журнал Белорусского государственного университета: Химия tetrazole complexes dft nmr-spectra geometrical structure |
| author_facet |
Vitaly E. Matulis Ekaterina G. Ragoyja Tatiyana V. Serebryanskaya Yuri V. Grigoriev Oleg A. Ivashkevich |
| author_sort |
Vitaly E. Matulis |
| title |
Study of structure and properties of platinum(II) chloride complexes with (2-alkyltetrazol-5-yl)acetic acid by quantum chemistry and NMR-spectroscopy methods |
| title_short |
Study of structure and properties of platinum(II) chloride complexes with (2-alkyltetrazol-5-yl)acetic acid by quantum chemistry and NMR-spectroscopy methods |
| title_full |
Study of structure and properties of platinum(II) chloride complexes with (2-alkyltetrazol-5-yl)acetic acid by quantum chemistry and NMR-spectroscopy methods |
| title_fullStr |
Study of structure and properties of platinum(II) chloride complexes with (2-alkyltetrazol-5-yl)acetic acid by quantum chemistry and NMR-spectroscopy methods |
| title_full_unstemmed |
Study of structure and properties of platinum(II) chloride complexes with (2-alkyltetrazol-5-yl)acetic acid by quantum chemistry and NMR-spectroscopy methods |
| title_sort |
study of structure and properties of platinum(ii) chloride complexes with (2-alkyltetrazol-5-yl)acetic acid by quantum chemistry and nmr-spectroscopy methods |
| publisher |
Belarusian State University |
| series |
Журнал Белорусского государственного университета: Химия |
| issn |
2520-257X 2617-3980 |
| publishDate |
2019-08-01 |
| description |
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. |
| topic |
tetrazole complexes dft nmr-spectra geometrical structure |
| url |
https://journals.bsu.by/index.php/chemistry/article/view/1193 |
| work_keys_str_mv |
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