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Experimental (dotted lines) and B3LYP TDDFT-calculated (simulated spectra in smooth solid lines and calculated oscillators shown as thin vertical lines) UV-Vis of (a) [FeIII(acac)3] (magenta) and [FeII(acac)3]− (blue) and (b) [FeIII(dbm)3] (magenta) and [FeII(dbm)3]− (blue). Selected differences between the spectra of the Fe(II) and Fe(III) complexes are highlighted by arrows.
