Figure 8
Comparison of the simulated spectra obtained by calculations (red) with the experimental S K-edge XAS data for UO2(S2PR2)2(EtOH) (black). The purple, blue, orange and light gray bars represent the energies and oscillator strengths for the calculated transitions involving U 5f, 6d, and S2P orbitals containing little S 3p character without U 5f or 6d character, respectively. |