Electronic and molecular structure relations in diiron compounds mimicking the [FeFe]-hydrogenase active site studied by X-ray spectroscopy and quantum chemistry

Synthetic diiron compounds of the general formula Fe-2(mu-S2R)(CO)(n)(L)(6-n) (R = alkyl or aromatic groups; L = CN- or phosphines) are versatile models for the active-site cofactor of hydrogen tur ...