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. 2022 Jan 20;144(6):2520–2534. doi: 10.1021/jacs.1c09505

Figure 4.

Figure 4

Experimental (top) and calculated (bottom) VtC XES spectra for the [Cun+(NHC2)]n+ series, [CuIII(NHC4)]3+, and [Cu(CF3)4]−. Calculated spectra were shifted −5.1 eV and a 2.0 eV (full-width half-maximum) Gaussian broadening was applied.