An X-Ray Photoelectron Spectroscopy and Quantum Chemical Study of Copper(II) β-Diketonates and Cu(HFA)2 Complexes with Imidazoline Ligands | Sciact - CRIS-system of Boreskov Institute of Catalysis

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

Journal

Journal of Electron Spectroscopy and Related Phenomena
ISSN: 0368-2048 , E-ISSN: 1873-2526

Output data

Year: 2016, Volume: 212, Pages: 11-20 Pages count : 10 DOI: 10.1016/j.elspec.2016.06.005

Tags

Complexes with nitroxyl radicals, DFT method, X-ray photoelectron spectroscopy, Сu(II) β-diketonates

Authors

Kryuchkova Natalya A. ^1,2 , Stabnikov Pavel A. ¹ , Kalinkin Alexander V. ³ , Fursova Elena Yu. ⁴

Affiliations

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

Funding (1)

Russian Academy of Sciences

V.44.4.4.

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.

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 AN OpenAlex

Submitted:	Apr 18, 2016
Accepted:	Jul 2, 2016
Published online:	Jul 27, 2016
Published print:	Oct 1, 2016

Web of science:	WOS:000387191800003
Scopus:	2-s2.0-84979516755
Elibrary:	27095109
Chemical Abstracts:	2016:1252714
OpenAlex:	W2491398368

DB	Citing
Web of science	5
Scopus	5
Elibrary	5
OpenAlex	5