ArticleJournal of the American Chemical Society2014
Protonation of nickel-iron hydrogenase models proceeds after isomerization at nickel.
Article in Journal of the American Chemical Society, 2014. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
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Who cites it
12 citing papers in PubMed.
- How Geometric Constraints Control the Hydride Position and Activity in [NiFe]-Hydrogenases and Their Biomimetic Complexes.Inorganic chemistry · 2025Article
- FCIQMC-CASPT2 with Imaginary-Time-Averaged Wave Functions.Journal of chemical theory and computation · 2025Article
- Hybrids of [FeFe]- and [NiFe]-HOrganometallics · 2023Article
- Two-Electron Mixed Valency in a Heterotrimetallic Nickel-Vanadium-Nickel Complex.Inorganic chemistry · 2023Article
- Synthetic Designs and Structural Investigations of Biomimetic Ni-Fe Thiolates.Inorganic chemistry · 2019Article
- Bimetallic nickel-cobalt hydrides in HChemical science · 2019Article
- Synthetic Models for Nickel-Iron Hydrogenase Featuring Redox-Active Ligands.Australian journal of chemistry · 2017Article
- Catalysts by Design: The Power of Theory.Accounts of chemical research · 2017Article
- Hydrogenase Enzymes and Their Synthetic Models: The Role of Metal Hydrides.Chemical reviews · 2016Review
- Mechanism of H2 Production by Models for the [NiFe]-Hydrogenases: Role of Reduced Hydrides.Journal of the American Chemical Society · 2016Article
- Models of the Ni-L and Ni-SIa States of the [NiFe]-Hydrogenase Active Site.Inorganic chemistry · 2016Article
- Proton-Coupled Electron Transfer: Moving Together and Charging Forward.Journal of the American Chemical Society · 2015Article
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Authors and funding
4 authors.
Funding
Abstract
Theory and experiment indicate that the protonation of reduced NiFe dithiolates proceeds via a previously undetected isomer with enhanced basicity. In particular, it is proposed that protonation of (OC)3Fe(pdt)Ni(dppe) (1; pdt(2-) = (-)S(CH2)3S(-); dppe = Ph2P(CH2)2PPh2) occurs at the Fe site of the two-electron mixed-valence Fe(0)Ni(II) species, not the Fe(I)-Ni(I) bond for the homovalence isomer of 1. The new pathway, which may have implications for protonation of other complexes and clusters, was uncovered through studies on the homologous series L(OC)2Fe(pdt)M(dppe), where M = Ni, Pd (2), and Pt (3) and L = CO, PCy3. Similar to 1, complexes 2 and 3 undergo both protonation and 1e(-) oxidation to afford well-characterized hydrides ([2H](+) and [3H](+)) and mixed-valence derivatives ([2](+) and [3](+)), respectively. Whereas the Pd site is tetrahedral in 2, the Pt site is square-planar in 3, indicating that this complex is best described as Fe(0)Pt(II). In view of the results on 2 and 3, the potential energy surface of 1 was reinvestigated with density functional theory. These calculations revealed the existence of an energetically accessible and more basic Fe(0)Ni(II) isomer with a square-planar Ni site.
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