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Correlation of calculated normal modes with Fe vibrations of the [Fe(P)(Im)] model calculation. All frequencies are expressed in cm−1.
| [Fe(P)(Im)] | [Fe(TPP)(2-MeHIm)] | [Fe(OEP)(2-MeHIm)] | |
|---|---|---|---|
| γ9 (doming) | 66 | 83, 87 | 116, 128 |
| imidazole translation | 169 | 163 | 180, 196 |
| γ6 (inverse doming) | 237 | 266, 212, 201, 203, 197 | 230 |
| ν53 | 247 | 222, 292 | 220 |
| ν53 | 255 | 228, 295, 220 | 224 |
| ν50 | 395 | 408 | 324, 289 |
| ν50 | 394 | 411 | 288 |
