Terahertz, infrared and Raman vibrational assignments of [FeFe]-hydrogenase model compounds

Using Raman, terahertz (THz), and mid-infrared (IR) spectroscopies, the vibrational spectra of two chromophore models of hydrogen-producing [FeFe]-hydrogenase, Fe2(μ-S2C3H6)(CO)6 and Fe2(μ-S2C2H4)(CO)6, have been assigned. The combination of absorption and scattering techniques, along with DFT calculations, allows for assignments to be made without traditional isotopic substitution methods.