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. Author manuscript; available in PMC: 2011 May 3.
Published in final edited form as: Inorg Chem. 2010 May 3;49(9):4133–4148. doi: 10.1021/ic902181e

Figure 4.

Figure 4

Vibrational density of states (VDOS) for [57Fe(OEP)(NO)] (1; black, n.a.i. = natural abundance isotopes NO) and of the corresponding, 15N18O labeled complex (red), calculated from the NRVS raw data using Phoenix.16b The obtained fit (shaded light blue and dark blue curves) is indicated. The shaded areas of the isotope sensitive features at 522 and 388 cm−1 in the spectrum of the n.a.i. complex yield iron motions, eFe2, of ~0.3 (522 cm−1) and 0.08 (388 cm−1), respectively.