Abstract
The electronic structure of solid compounds γ-UO3, Cs2UO2CL4, UO2F4 and complexes UO 2+2 and UO2(NO3)2 · 2H2O has been studied by the cluster discrete variational DV Xα method in Dirac-Slater and Hartree-Fock-Slater approximation. The analysis of relativistic effects in the electronic structure of uranyl compounds was based on the comparison of non-relativistic and relativistic DV results. The interpretation of X-ray photoelectron spectra of γ-UO3 and Cs2UO2Cl4 basing on the MO model is given. The various electronic states contributions to the chemical bonding in uranyl compounds are investigated.
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Ryzhkov, M.V., Gubanov, V.A. Uranyl compounds and complexes: Electronic structure, chemical bonding and spectral properties. Journal of Radioanalytical and Nuclear Chemistry, Articles 143, 85–92 (1990). https://doi.org/10.1007/BF02117550
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DOI: https://doi.org/10.1007/BF02117550