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
, E-ISSN: 1873-2526
||Complexes with nitroxyl radicals, DFT method, X-ray photoelectron spectroscopy, Сu(II) β-diketonates
Kryuchkova Natalya A.
Stabnikov Pavel A.
Kalinkin Alexander V.
Fursova Elena Yu.
Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Lavrentyev Av., 3, RU-630090 Novosibirsk, Russian Federation
Novosibirsk State University, Pirogova Street, 2, RU-630090 Novosibirsk, Russian Federation
Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Lavrentyev Av., 5, RU-630090 Novosibirsk, Russian Federation
International Tomography Center, Siberian Branch, Russian Academy of Sciences, Institutskaya Street, 3a, RU-630090 Novosibirsk, Russian Federation
Russian Academy of Sciences
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.