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. Author manuscript; available in PMC: 2014 Mar 18.
Published in final edited form as: Inorg Chem. 2013 Mar 7;52(6):3170–3177. doi: 10.1021/ic3026396

Figure 2.

Figure 2

NRVS spectra for [K(222)][Fe(TPP)(2-MeIm−)] taken as a powder and as an oriented crystal in a generalized in-plane direction (top panel). DFT-calculated Fe e2 values are shown as the black bars in the bottom panel and the scale is given on the right. The predicted powder and in-plane spectra are shown as the black and red lines, respectively. These are based on convolved Gaussians with widths of 10 cm−1 at FWHH.