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Comparison between the measured powder VDOS for [Fe(TPP)(1-MeIm)(CO)] (upper panel), and predicted VDOS for [Fe(TPP)(1-MeIm)(CO)] (center panel) and [Fe(TPP)(2-MeIm)(CO)] (lower panel). In-plane contribution is shown in shaded representation, and out-of-plane contribution in solid representation. Predicted VDOS are convolved with an 8 cm−1 Lorentzian.
