СИНТЕЗ ТА ДОСЛІДЖЕННЯ ВЛАСТИВОСТЕЙ КОМПЛЕКСУ ЦИНКУ З 3-(2-ПІРИДИЛ)-5-(3,4,5-ТРИМЕТОКСИФЕНІЛ)-1,2,4-ТРИАЗОЛОМ
A procedure has been developed for the synthesis of a zinc complex with chelating li-gand 3-(2-pyridyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole. Within the framework of the density functional method, with the B3LYP functional in the SBKJC basis, the equilibrium geometry of the ground electronic st...
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V.I.Vernadsky Institute of General and Inorganic Chemistry
2020
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oai:ojs2.1444248.nisspano.web.hosting-test.net:article-1862020-09-01T11:26:14Z SYNTHESIS AND STUDY OF PROPERTIES OF ZINC COMPLEX WITH 3-(2-PYRIDYL)-5-(3,4,5-TRIMETOXYPHENYL)-1,2,4-TRIAZOLE СИНТЕЗ И ИССЛЕДОВАНИЕ СВОЙСТВ КОМПЛЕКСА ЦИНКА С 3-(2-ПИРИДИЛ)-5-(3,4,5-ТРИМЕТОКСИФЕНИЛ)-1,2,4-ТРИАЗОЛОМ СИНТЕЗ ТА ДОСЛІДЖЕННЯ ВЛАСТИВОСТЕЙ КОМПЛЕКСУ ЦИНКУ З 3-(2-ПІРИДИЛ)-5-(3,4,5-ТРИМЕТОКСИФЕНІЛ)-1,2,4-ТРИАЗОЛОМ Khomenko, Dmytro Doroshchuk, Roman Starova, Victoria Raspertova, Ilona Severinovskaya, Olga Lampeka, Rostyslav 1,2,4-triazole, zinc, fluorescence, DFT. A procedure has been developed for the synthesis of a zinc complex with chelating li-gand 3-(2-pyridyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole. Within the framework of the density functional method, with the B3LYP functional in the SBKJC basis, the equilibrium geometry of the ground electronic state of the ligand molecule and zinc complex was determined. The physicochemical properties of the ligand were also characterized: logP = 4.1±0.1, рКf1 = 3.31±0.05, рКf2 = 10.2±0.1, ε275 ≈ 1·105 l·mol–1·cm–1. It was shown that complexation is accompanied by an increase in fluorescence intensity, for the complex λemmax ≈ 458 nm. The absorption spectrum of the complex is characterized by two bands with maxima at 278 nm (ε278 ≈ 1.3·104 l·mol–1·cm–1) and 322 nm (ε322 ≈ 1.2·104 l·mol–1·cm–1). V.I.Vernadsky Institute of General and Inorganic Chemistry 2020-07-20 Article Article Inorganic Chemistry Неорганическая химия Неорганічна хімія application/pdf https://ucj.org.ua/index.php/journal/article/view/186 10.33609/2708-129X.86.6.2020.65-73 Ukrainian Chemistry Journal; Vol. 86 No. 6 (2020): Ukrainian Chemistry Journal; 65-73 Украинский химический журнал; Том 86 № 6 (2020): Украинский химический журнал; 65-73 Український хімічний журнал; Том 86 № 6 (2020): Український хімічний журнал; 65-73 2708-129X 2708-1281 en https://ucj.org.ua/index.php/journal/article/view/186/109 |
| institution |
Ukrainian Chemistry Journal |
| baseUrl_str |
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| datestamp_date |
2020-09-01T11:26:14Z |
| collection |
OJS |
| language |
English |
| topic_facet |
1,2,4-triazole zinc fluorescence DFT. |
| format |
Article |
| author |
Khomenko, Dmytro Doroshchuk, Roman Starova, Victoria Raspertova, Ilona Severinovskaya, Olga Lampeka, Rostyslav |
| spellingShingle |
Khomenko, Dmytro Doroshchuk, Roman Starova, Victoria Raspertova, Ilona Severinovskaya, Olga Lampeka, Rostyslav СИНТЕЗ ТА ДОСЛІДЖЕННЯ ВЛАСТИВОСТЕЙ КОМПЛЕКСУ ЦИНКУ З 3-(2-ПІРИДИЛ)-5-(3,4,5-ТРИМЕТОКСИФЕНІЛ)-1,2,4-ТРИАЗОЛОМ |
| author_facet |
Khomenko, Dmytro Doroshchuk, Roman Starova, Victoria Raspertova, Ilona Severinovskaya, Olga Lampeka, Rostyslav |
| author_sort |
Khomenko, Dmytro |
| title |
СИНТЕЗ ТА ДОСЛІДЖЕННЯ ВЛАСТИВОСТЕЙ КОМПЛЕКСУ ЦИНКУ З 3-(2-ПІРИДИЛ)-5-(3,4,5-ТРИМЕТОКСИФЕНІЛ)-1,2,4-ТРИАЗОЛОМ |
| title_short |
СИНТЕЗ ТА ДОСЛІДЖЕННЯ ВЛАСТИВОСТЕЙ КОМПЛЕКСУ ЦИНКУ З 3-(2-ПІРИДИЛ)-5-(3,4,5-ТРИМЕТОКСИФЕНІЛ)-1,2,4-ТРИАЗОЛОМ |
| title_full |
СИНТЕЗ ТА ДОСЛІДЖЕННЯ ВЛАСТИВОСТЕЙ КОМПЛЕКСУ ЦИНКУ З 3-(2-ПІРИДИЛ)-5-(3,4,5-ТРИМЕТОКСИФЕНІЛ)-1,2,4-ТРИАЗОЛОМ |
| title_fullStr |
СИНТЕЗ ТА ДОСЛІДЖЕННЯ ВЛАСТИВОСТЕЙ КОМПЛЕКСУ ЦИНКУ З 3-(2-ПІРИДИЛ)-5-(3,4,5-ТРИМЕТОКСИФЕНІЛ)-1,2,4-ТРИАЗОЛОМ |
| title_full_unstemmed |
СИНТЕЗ ТА ДОСЛІДЖЕННЯ ВЛАСТИВОСТЕЙ КОМПЛЕКСУ ЦИНКУ З 3-(2-ПІРИДИЛ)-5-(3,4,5-ТРИМЕТОКСИФЕНІЛ)-1,2,4-ТРИАЗОЛОМ |
| title_sort |
синтез та дослідження властивостей комплексу цинку з 3-(2-піридил)-5-(3,4,5-триметоксифеніл)-1,2,4-триазолом |
| title_alt |
SYNTHESIS AND STUDY OF PROPERTIES OF ZINC COMPLEX WITH 3-(2-PYRIDYL)-5-(3,4,5-TRIMETOXYPHENYL)-1,2,4-TRIAZOLE СИНТЕЗ И ИССЛЕДОВАНИЕ СВОЙСТВ КОМПЛЕКСА ЦИНКА С 3-(2-ПИРИДИЛ)-5-(3,4,5-ТРИМЕТОКСИФЕНИЛ)-1,2,4-ТРИАЗОЛОМ |
| description |
A procedure has been developed for the synthesis of a zinc complex with chelating li-gand 3-(2-pyridyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole. Within the framework of the density functional method, with the B3LYP functional in the SBKJC basis, the equilibrium geometry of the ground electronic state of the ligand molecule and zinc complex was determined. The physicochemical properties of the ligand were also characterized: logP = 4.1±0.1, рКf1 = 3.31±0.05, рКf2 = 10.2±0.1, ε275 ≈ 1·105 l·mol–1·cm–1. It was shown that complexation is accompanied by an increase in fluorescence intensity, for the complex λemmax ≈ 458 nm. The absorption spectrum of the complex is characterized by two bands with maxima at 278 nm (ε278 ≈ 1.3·104 l·mol–1·cm–1) and 322 nm (ε322 ≈ 1.2·104 l·mol–1·cm–1).
|
| publisher |
V.I.Vernadsky Institute of General and Inorganic Chemistry |
| publishDate |
2020 |
| url |
https://ucj.org.ua/index.php/journal/article/view/186 |
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2025-09-24T17:43:27Z |
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2025-09-24T17:43:27Z |
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