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 H2 production. © 2009 Wiley-VCH Verlag GmbH & Co. KGaA.

Bruschi, M., Greco, C., Kaukonen, M., Fantucci, P., Ryde, U., DE GIOIA, L. (2009). 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. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, 48(19), 3503-3506 [10.1002/anie.200900494].

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

BRUSCHI, MAURIZIO;GRECO, CLAUDIO;FANTUCCI, PIERCARLO;DE GIOIA, LUCA
2009

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 H2 production. © 2009 Wiley-VCH Verlag GmbH & Co. KGaA.
Articolo in rivista - Articolo scientifico
bioinorganic chemistry • density functional calculations • enzyme catalysis • hydrogen • quantum chemistry
English
3503
3506
4
Bruschi, M., Greco, C., Kaukonen, M., Fantucci, P., Ryde, U., DE GIOIA, L. (2009). 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. ANGEWANDTE CHEMIE. INTERNATIONAL EDITION, 48(19), 3503-3506 [10.1002/anie.200900494].
Bruschi, M; Greco, C; Kaukonen, M; Fantucci, P; Ryde, U; DE GIOIA, L
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/10281/9215
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