ArticleInorganic chemistry2016
X-ray Absorption and Emission Spectroscopic Studies of [L2Fe2S2](n) Model Complexes: Implications for the Experimental Evaluation of Redox States in Iron-Sulfur Clusters.
Article in Inorganic chemistry, 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 39 papers.
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Who cites it
39 citing papers in PubMed.
- Nickel(I) in an All-Ferric NiFeS Cluster.Journal of the American Chemical Society · 2026Article
- Molybdenum doping enhances backbonding at neighboring iron centers in iron-sulfur clusters.Chem · 2026Article
- Bridging Transition Metal and Anion Redox Processes in Li-Rich Sulfide Cathodes.Chemistry of materials : a publication of the American Chemical Society · 2026Article
- Atomically Precise Engineering of Synergistic Binding Sites in a Zirconium Metal-Organic Framework for the Capture of Perfluorooctanoic Acid.Journal of the American Chemical Society · 2026Article
- General Spin Restricted Open-Shell Configuration Interaction Singles (GS-ROCIS): Implementation of Spin-Orbit Coupling and Zeeman Operators for Calculation of Optical and X-ray Absorption and Magnetic Circular Dichroism Spectra of Magnetically Coupled Transition Metal Systems.The journal of physical chemistry. A · 2025Article
- General Spin-Restricted Open-Shell Configuration Interaction Approach: Application to Metal K-Edge X-ray Absorption Spectra of Ferro- and Antiferromagnetically Coupled Dimers.The journal of physical chemistry. A · 2025Article
- Experimentally Assessing the Electronic Structure and Spin-State Energetics in MnFe Dimers Using 1s3p Resonant Inelastic X-ray Scattering.Inorganic chemistry · 2024Article
- Article
- X-ray absorption and emission spectroscopy of NDalton transactions (Cambridge, England : 2003) · 2024Article
- Three-Coordinate Nickel and Metal-Metal Interactions in a Heterometallic Iron-Sulfur Cluster.Journal of the American Chemical Society · 2024Article
- High-Spin and Reactive FeAngewandte Chemie (International ed. in English) · 2023Article
- Sulfur-Ligated [2Fe-2C] Clusters as Synthetic Model Systems for Nitrogenase.Inorganic chemistry · 2023Article
- An FeAngewandte Chemie (International ed. in English) · 2022Article
- Iron Insertion at the Assembly Site of the ISCU Scaffold Protein Is a Conserved Process Initiating Fe-S Cluster Biosynthesis.Journal of the American Chemical Society · 2022Article
- Determination of the iron(IV) local spin states of the Q intermediate of soluble methane monooxygenase by Kβ X-ray emission spectroscopy.Journal of biological inorganic chemistry : JBIC : a publication of the Society of Biological Inorganic Chemistry · 2022Article
- A conformational role for NifW in the maturation of molybdenum nitrogenase P-cluster.Chemical science · 2022Article
- Stabilization of intermediate spin states in mixed-valent diiron dichalcogenide complexes.Nature chemistry · 2022Article
- Combining Valence-to-Core X-ray Emission and Cu K-edge X-ray Absorption Spectroscopies to Experimentally Assess Oxidation State in Organometallic Cu(I)/(II)/(III) Complexes.Journal of the American Chemical Society · 2022Article
- A Combined Spectroscopic and Computational Study on the Mechanism of Iron-Catalyzed Aminofunctionalization of Olefins Using Hydroxylamine Derived N-O Reagent as the "Amino" Source and "Oxidant".Journal of the American Chemical Society · 2022Article
- [2Fe-2S] Cluster Supported by Redox-ActiveInorganic chemistry · 2021Article
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8 authors.
Funding
Abstract
Herein, a systematic study of [L2Fe2S2](n) model complexes (where L = bis(benzimidazolato) and n = 2-, 3-, 4-) has been carried out using iron and sulfur K-edge X-ray absorption (XAS) and iron Kβ and valence-to-core X-ray emission spectroscopies (XES). These data are used as a test set to evaluate the relative strengths and weaknesses of X-ray core level spectroscopies in assessing redox changes in iron-sulfur clusters. The results are correlated to density functional theory (DFT) calculations of the spectra in order to further support the quantitative information that can be extracted from the experimental data. It is demonstrated that due to canceling effects of covalency and spin state, the information that can be extracted from Fe Kβ XES mainlines is limited. However, a careful analysis of the Fe K-edge XAS data shows that localized valence vs delocalized valence species may be differentiated on the basis of the pre-edge and K-edge energies. These findings are then applied to existing literature Fe K-edge XAS data on the iron protein, P-cluster, and FeMoco sites of nitrogenase. The ability to assess the extent of delocalization in the iron protein vs the P-cluster is highlighted. In addition, possible charge states for FeMoco on the basis of Fe K-edge XAS data are discussed. This study provides an important reference for future X-ray spectroscopic studies of iron-sulfur clusters.
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