Skip to main content
. Author manuscript; available in PMC: 2017 Jul 20.
Published in final edited form as: J Am Chem Soc. 2016 Jul 6;138(28):8752–8764. doi: 10.1021/jacs.6b02176

Figure 5.

Figure 5

Gaussian-broadened calculated XAS transitions of relevant excited electronic states compared to experimental spectra in (A) the rising edge regions where 1s → 4pz transitions dominate and (B) the pre-edge region.