Figure 7.

Bar graph showing DFT-predicted directional characteristics of all 36 modes of the imidazolate complex [Fe(OEP)(2-MeIm⁻)]⁻ with e²_Fe > 0.01 for two different definitions of the orthogonal coordinate system. In the top panel x is defined as parallel to the imidazolate plane and y is defined as perpendicular to the imidazolate plane, whereas in the bottom panel x and y are defined along the Fe–N_p bond directions. (Coordinate directions also shown in the porphyrin outlines.) Color code: ${\mathrm{e}}_x^2$, green; ${\mathrm{e}}_y^2$, red; ${\mathrm{e}}_z^2$, blue.