Prediction and Interpretation of Free‐Ion and Crystal‐Field Spectra of the Actinides. The Intermediate Crystal‐Field Diagram for 5f2 Np5+ in Octahedral CsNpF6

摘要: The problem of identification and characterization the many oxidation states actinide elements which give rise to f–f electronic spectra is treated both for free‐ion crystal‐field spectra. For free‐ion, nonrelativistic self‐consistent‐field calculations on fn configurations actinides have yielded values Coulomb spin–orbit interaction parameters from may be predicted. Comparison these calculated energy levels with observed several has been made. Crystal‐field splitting was examined in detail case 5f2Np5+ CsNpF6. A complete intermediate coupling diagram this f2 configuration ion under Oh point‐group symmetry constructed spectrum fit confirming predominant octahedral structure NpF6−. combined Coulomb, spin–orbit, spectroscopic NpF6− were: E1 = 3144, E2 = 16.75, E3 = 251.9...