FIGURE 5.

(Upper panel) Comparison between the experimental VDOS for [Fe(TPP)(1,2-Me₂Im)(CO)], powder (black line) and crystal, in-plane orientation (gray line). (Center panel) Positive features corresponding to out-of-plane vibrations of the Fe atom remain after subtraction of in-plane contributions, estimated by doubling the measured in-plane VDOS. Paired positive and negative features reflect in-plane asymmetries neglected in this estimate. (Lower panel) Experimental VDOS for [Fe(TPP)(1-PhIm)(CO)] powder. Cross-hatching and numerical values indicate areas attributed to FeCO vibrations.