Catalytic Hydrogen Evolution from Mononuclear Iron(II) Carbonyl Complexes as Minimal Functional Models of the [FeFe] Hydrogenase Active Site
2010; Wiley; Volume: 49; Issue: 43 Linguagem: Inglês
10.1002/anie.201002719
ISSN1521-3773
AutoresSandeep Kaur‐Ghumaan, Lennart Schwartz, Reiner Lomoth, Matthias Stein, Sascha Ott,
Tópico(s)Advanced battery technologies research
ResumoHow much iron does it take? Mononuclear complexes [FeII(3,6-R2bdt)(CO)2(PMe3)2] (bdt=1,2-C6H4(S−)2; R=H, Cl) can be reversibly protonated at the sulfur ligands, can catalyze the electrochemical reduction of protons, and are thus minimal functional models of the [FeFe] hydrogenases (see scheme). DFT calculations show that cleavage of an FeS bond leads to the generation of a free coordination site, which is crucial for the formation of hydrides that are key intermediates in the generation of hydrogen.
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