An X-Ray Photoelectron Spectroscopy and Quantum Chemical Study of Copper(II) β-Diketonates and Cu(HFA)2 Complexes with Imidazoline Ligands
Full article
| Общее |
Language:
Английский,
Genre:
Full article,
Status:
Published,
Source type:
Original
|
| 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)
|
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.