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. Author manuscript; available in PMC: 2017 Sep 28.
Published in final edited form as: Dalton Trans. 2016 Aug 17;45(36):14191–14202. doi: 10.1039/c6dt02413k

Figure 1.

Figure 1

Energy-calibrated normalized background- subtracted experimental cobalt Kβ X-ray emission spectra of cobalt complexes [CoIII (NH3)6]Cl3 (1), [CoIII(acac)3] (5), and [CoIII(dmgH)(dmgH2)(Cl)2] (6), including the mainline region (Panel A), and the V2C region (Panel B). DFT-calculated cobalt Kβ V2C X-ray emission spectra of 1, 5, and 6 are shown in Panel C (plotting parameters: a scalar shift of 197.0 eV for energy calibration, a broadening of 2.0 eV for half-width-at-half-maximum, and Pseudo-Voigt functions with 50:50 Gaussian:Lorentzian). X-ray emission spectra were computed based on coordinates of crystal structures for complexes 1 and 5, and a DFT geometry-optimized structure for 6.