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. Author manuscript; available in PMC: 2013 Nov 5.
Published in final edited form as: Inorg Chem. 2012 Oct 19;51(21):11769–11778. doi: 10.1021/ic301719v

Figure 2.

Figure 2

(Upper panel) The measured VDOS for the powder sample (17 K), the single crystal sample (in-plane, 116 K; out-of-plane, 116 K) of [K(222)][Fe(TPP)(CN)], and predicted VDOS for the low spin state (grey shaded, G09). (Lower panel) The predicted directional characteristics of all modes with eFe2>0.001 are shown. The tick marks are the values of the predicted frequencies, but the horizontal scale is only approximately linear in frequency to avoid overlaps. x, y and z are illustrated in the molecular structure and defined in text.