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Intramolecular electron transfer in Cu(II) complexes with aryl-imidazo-1,10-phenanthroline derivatives: experimental and quantum chemical calculation studiesстатья
Информация о цитировании статьи получена из
Web of Science,
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 11 апреля 2019 г.
- Авторы: Fedorova O.A., Tokarev S.D., Shepel N.E., Lukovskaya E.V., Sotnikova Y.A., Moiseeva A.A., D'Aleo A., Fages F., Maurel F., Fedorov Y.V.
- Журнал: New Journal of Chemistry
- Том: 43
- Номер: 6
- Год издания: 2019
- Издательство: Royal Society of Chemistry
- Местоположение издательства: United Kingdom
- Первая страница: 2817
- Последняя страница: 2827
- DOI: 10.1039/C8NJ05697H
- Аннотация: 1H-imidazo[4,5-f][1,10]phenanthrolines containing phenyl- (1), 4-(N,N-dimethylamino)phenyl- (2), 4-(azadithiacrownether) phenyl- (3) 3,4-dimethoxyphenyl- (4) and 2,2’-bithiophen-5-yl- (5) were synthesized and their Cu(II) complexes were studied to determine the effect of substituent, geometry of complex and solvent nature on the spectral and redox properties of the copper complexes. It was found that in case of 4-(N,N-dimethylamino)phenyl- and 4-(azadithiacrownether) phenyl substituents the formation of L2Cu2+ complex of pseudo-tetrahedral geometry causes the appearance of an intense metal-to-ligand charge transfer (MLCT) band at the visible region and induces a positive shift in the reduction potential providing the occurrence of autoreduction of Cu(II). Density functional theory (DFT) and its extension to time dependent density functional theory (TD-DFT) were performed to study the molecular structure, electronic and spectroscopic properties of copper with the 4-(N,N-dimethylamino)phenyl-1H-imidazo[4,5-f][1,10]phenanthroline ligand (2). The calculation results are in agreement with those obtained from optical measurements. Electrochemical study showed that the autoreduction is observed when Cu2+/Cu+ transfer and oxidation of ligand occur at the closed electrochemical condition.
- Добавил в систему: Федоров Юрий Викторович
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