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Fe 3p photoelectron spectra calculated within the crystal-field multiplet (CFM) model representing (a) singlet and (b) triplet states of, within the approximations of the CFM model, Fe(CO)5, Fe(CO)4, and Fe(CO)3. Sticks are calculated binding energies and transition intensities of the final ionic 3p−1 core-hole states. Spectra were aligned to 0 eV at maximum for an easier comparison of the shapes with intensities normalized at maximum.
