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Left panel: structure for an [FeFe] hydrogenase (a1) and its reaction center (H-cluster, six irons) (a2). The green shaded area in (a2) is the reaction center [2Fe]H subcluster (two irons). Right panel: NRVS-derived PVDOS (b1, black) along with IR (b2, red) and Raman spectra (b3, blue) for [Fe2S2Cl4]=. The top inserts above (b1) illustrate a few distinct vibrational modes for this complex.
