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An X-Ray Photoelectron Spectroscopy and Quantum Chemical Study of Copper(II) β-Diketonates and Cu(HFA)2 Complexes with Imidazoline Ligands Научная публикация

Журнал Journal of Electron Spectroscopy and Related Phenomena
ISSN: 0368-2048 , E-ISSN: 1873-2526
Вых. Данные Год: 2016, Том: 212, Страницы: 11-20 Страниц : 10 DOI: 10.1016/j.elspec.2016.06.005
Ключевые слова Complexes with nitroxyl radicals, DFT method, X-ray photoelectron spectroscopy, Сu(II) β-diketonates
Авторы Kryuchkova Natalya A. 1,2 , Stabnikov Pavel A. 1 , Kalinkin Alexander V. 3 , Fursova Elena Yu. 4
Организации
1 Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Lavrentyev Av., 3, RU-630090 Novosibirsk, Russian Federation
2 Novosibirsk State University, Pirogova Street, 2, RU-630090 Novosibirsk, Russian Federation
3 Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Lavrentyev Av., 5, RU-630090 Novosibirsk, Russian Federation
4 International Tomography Center, Siberian Branch, Russian Academy of Sciences, Institutskaya Street, 3a, RU-630090 Novosibirsk, Russian Federation

Информация о финансировании (1)

1 Российская академия наук V.44.4.4.

Реферат: An X-ray photoelectron spectroscopy study of the charge and spin state of copper(II) -diketonates and Cu(hfa)2 (hfa–hexafluoroacetylacetonate) complexes with imidazoline ligands is performed with comparison to the data of quantum chemical calculations. It is shown that the structure of the spectra of copper is described by a superposition of the |2p53d9> and | 2p53d10L> electronic states determined by electron transfer processes between copper and L ligand atoms. It is found that during the coordination of imidazoline ligands to the Cu(hfa)2 complex the spin density is redistributed through the chain of chemical bonds from the ligand nitroxyl group to the copper atom.
Библиографическая ссылка: Kryuchkova N.A. , Stabnikov P.A. , Kalinkin A.V. , Fursova E.Y.
An X-Ray Photoelectron Spectroscopy and Quantum Chemical Study of Copper(II) β-Diketonates and Cu(HFA)2 Complexes with Imidazoline Ligands
Journal of Electron Spectroscopy and Related Phenomena. 2016. V.212. P.11-20. DOI: 10.1016/j.elspec.2016.06.005 WOS Scopus РИНЦ CAPlus OpenAlex
Даты:
Поступила в редакцию: 18 апр. 2016 г.
Принята к публикации: 2 июл. 2016 г.
Опубликована online: 27 июл. 2016 г.
Опубликована в печати: 1 окт. 2016 г.
Идентификаторы БД:
Web of science: WOS:000387191800003
Scopus: 2-s2.0-84979516755
РИНЦ: 27095109
Chemical Abstracts: 2016:1252714
OpenAlex: W2491398368
Цитирование в БД:
БД Цитирований
Web of science 5
Scopus 5
РИНЦ 5
OpenAlex 5
Альметрики: