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. Author manuscript; available in PMC: 2015 Feb 4.
Published in final edited form as: Inorg Chem. 2008 Jun 6;47(13):5762–5774. doi: 10.1021/ic800073t

Figure 10.

Figure 10

Experimental (top) and TD-DFT calculated (bottom) Abs spectra of LFe(N3)2. Electron density difference maps (EDDMs) for the dominant LMCT transitions corresponding to Gaussian bands 2–5 in the experimental spectrum are shown above the computed spectrum, where white and blue indicate electron density loss and gain, respectively.