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Influence of the [2Fe] H Subcluster Environment on the Properties of Key Intermediates in the Catalytic Cycle of [FeFe] Hydrogenases: Hints for the Rational Design of Synthetic Catalysts

2009; Wiley; Volume: 48; Issue: 19 Linguagem: Inglês

10.1002/anie.200900494

1521-3773

Maurizio Bruschi, Claudio Greco, Markus Kaukonen, Piercarlo Fantucci, Ulf Ryde, Luca De Gioia,

Advanced battery technologies research

Abstract Nature's recipe : A theoretical study analyzes how the environment of the [FeFe] hydrogenase's catalytic cofactor affects its chemical properties, particularly the relative stability of complexes with bridging and terminal hydride ligands (see picture; Fe teal, S yellow, C green, N blue, O red, H gray). The results help to elucidate key rules for the design of bioinspired synthetic catalysts for H 2 production. magnified image