ИСТИНА

Session: AC+AS+M I-ThP3 The Study of the Pu6p, 5f-Electrons States in С s2PuO2Cl4 Abstract # 1861 Author(s) Presenter Correspond Yury Teterin; NRC “Kurchatov Institute”, Russian Federation X Anton Teterin; NRC “Kurchatov Institute”, Russian Federation Kirill Ivanov; NRC “Kurchatov Institute”, Russian Federation Mikhail Ryzhkov; Ural Department of RAS, Institute of Solid State Chemistry, Russian Federation Konstantin Maslakov; Lomonosov Moscow State University, Russian Federation X Dmitry Suglobov; V.G. Khlopin Radium Institute, Russian Federation Abstract: The direct participation of Pu6p, 5f atomic shells in the formation of molecular orbitals was studied. The quantitative analysis of the x-ray photoelectron spectral (XPS) structure of Сs2PuO2Cl4 single crustal containing the plutonyl group PuO2 2+ was done in the valence electrons binding energy range 0 - ~35 eV taking into account binding energies and spectral structures of the core electronic levels (~35 - 1250 eV) and the relativistic calculation data for the PuO2Cl4 2- (D4h) cluster reflecting plutonium close environment in Сs2PuO2Cl4. The experimental data suggest that the many-body processes and the multiplet splitting contribute to the valence XPS structure significantly less than the outer (0 - ~15 eV) and the inner (~15 - ~35 eV) valence molecular orbitals formation does. The filled Pu 5f electronic states were shown to appear in the valence band of Сs2PuO2Cl4. The atomic Pu 6p electronic orbitals were shown to participate in formation of both inner and outer valence molecular orbitals (bands). The most part in the inner valence molecular orbitals formation were found to take the filled Pu 6p3/2 and O 2s, Cl 3s atomic shells. The composition and the sequent order of such orbitals in Сs2PuO2Cl4 were established in the binding energy range 0 - ~35 eV. The obtained experimental and calculation data allowed for the first time a quantitative scheme of the molecular orbitals for Сs2PuO2Cl4. This scheme is essential and fundamental for understanding of the chemical bonding nature in Сs2PuO2Cl4 and for interpretation of the fine structures of other x-ray spectra. The work was supported by the RFBR grant № 13-03-00214.