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Sulfur K-edge XAS and DFT Studies on Ni(II) Complexes with Oxidized Thiolate Ligands: Implications for the Roles of Oxidized Thiolates in the Active Sites of Fe and Co Nitrile Hydratase
S K-edge XAS data on a series of Ni(II) complexes with thiolate (RS(−)) and oxidized thiolate (RSO(2)(−)) ligands are used to quantify Ni-S bond covalency and its change upon ligand oxidation. Analyses of these results using geometry optimized DFT calculations suggest that the Ni-S σ bonds do not we...
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| Autores principales: | , , , , , |
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| Formato: | Artigo |
| Lenguaje: | Inglês |
| Publicado: |
2007
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| Materias: | |
| Acceso en línea: | https://ncbi.nlm.nih.gov/pmc/articles/PMC2565589/ https://ncbi.nlm.nih.gov/pubmed/17500514 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ic070244l |
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