ArticleScience advances2024
The spin-forbidden transition in iron(IV)-oxo catalysts relevant to two-state reactivity.
Article in Science advances, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 12 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
12 citing papers in PubMed.
- Dual Regulation of Molecular Orbital and Interfacial Water on Nickel Phthalocyanine for Highly Selective HAngewandte Chemie (International ed. in English) · 2026Article
- Mechanistic Elucidation of BBOX-Catalyzed Hydroxylation and THP-Induced Oxidative Rearrangement via QM/MM Calculations.Molecules (Basel, Switzerland) · 2026Article
- Scanning Tunnelling Microscopy Study of Spin Interactions in Transition-Metal Phthalocyanine Adsorbates: Mechanisms, Signatures, and Control Strategies.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026Review
- High-Valent Late Transition Metal-Oxo Complexes: Breaking Boundaries at the Oxo Wall and Beyond.Chemical reviews · 2026Review
- Coordination-Induced Spin Modulation: Overcoming Spin Blocking in C-H Methylation with High-Spin Ferrous Complexes.ACS catalysis · 2026Article
- Cobalt(II)-Mediated Fenton-like Reactions: Effects of Second-Sphere HInorganic chemistry · 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
- Generation and Reactivity of a High-Spin Iron(IV)-Oxo Complex That Is Stable at Ambient Temperatures.Journal of the American Chemical Society · 2025Article
- An Open-Shell FeJournal of the American Chemical Society · 2025Article
- Experimental Definition of theJournal of the American Chemical Society · 2024Article
- Performance of quantum chemistry methods for a benchmark set of spin-state energetics derived from experimental data of 17 transition metal complexes (SSE17).Chemical science · 2024Article
- Experimentally Assessing the Electronic Structure and Spin-State Energetics in MnFe Dimers Using 1s3p Resonant Inelastic X-ray Scattering.Inorganic chemistry · 2024Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
5 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Quintet oxoiron(IV) intermediates are often invoked in nonheme iron enzymes capable of performing selective oxidation, while most well-characterized synthetic model oxoiron(IV) complexes have a triplet ground state. These differing spin states lead to the proposal of a two-state reactivity model, where the complexes cross from the triplet to an excited quintet state. However, the energy of this quintet state has never been measured experimentally. Here, magnetic circular dichroism is used to assign the singlet and triplet excited states in a series of triplet oxoiron(IV) complexes. These transition energies are used to determine the energies of the quintet state via constrained fitting of 2p3d resonant inelastic x-ray scattering. This allowed for a direct correlation between the quintet energies and substrate C─H oxidation rates.
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.