ArticleStructural dynamics (Melville, N.Y.)2016
Identification of the dominant photochemical pathways and mechanistic insights to the ultrafast ligand exchange of Fe(CO)5 to Fe(CO)4EtOH.
Article in Structural dynamics (Melville, N.Y.), 2016. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 15 papers.
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15 citing papers in PubMed.
- Metal-ligand covalency of C-H activating iridium complexes from L-edge valence-to-core resonant inelastic X-ray scattering.Chemical science · 2026Article
- Theoretical Investigation of Transient Species Following Photodissociation of Ironpentacarbonyl in Ethanol Solution.Inorganic chemistry · 2024Article
- Ferricyanide photo-aquation pathway revealed by combined femtosecond Kβ main line and valence-to-core x-ray emission spectroscopy.Nature communications · 2023Article
- Hole Dynamics in Photoexcited Hematite Studied with Femtosecond Oxygen K-edge X-ray Absorption Spectroscopy.The journal of physical chemistry letters · 2022Article
- Photoinduced bond oscillations in ironpentacarbonyl give delayed synchronous bursts of carbonmonoxide release.Nature communications · 2022Article
- Following Metal-to-Ligand Charge-Transfer Dynamics with Ligand and Spin Specificity Using Femtosecond Resonant Inelastic X-ray Scattering at the Nitrogen K-Edge.The journal of physical chemistry letters · 2021Article
- Using X-ray free-electron lasers for spectroscopy of molecular catalysts and metalloenzymes.Nature reviews. Physics · 2021Article
- Chemical interactions and dynamics with femtosecond X-ray spectroscopy and the role of X-ray free-electron lasers.Philosophical transactions. Series A, Mathematical, physical, and engineering sciences · 2019Article
- Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft X-ray scattering in transient photo-chemical species.Physical chemistry chemical physics : PCCP · 2018Article
- Perspective: Opportunities for ultrafast science at SwissFEL.Structural dynamics (Melville, N.Y.) · 2017Article
- A Restricted Open Configuration Interaction with Singles Method To Calculate Valence-to-Core Resonant X-ray Emission Spectra: A Case Study.Inorganic chemistry · 2017Article
- Communication: Direct evidence for sequential dissociation of gas-phase Fe(CO)The Journal of chemical physics · 2017Article
- Study of double core hole excitations in molecules by X-ray double-quantum-coherence signals: a multi-configuration simulation.Chemical science · 2016Article
- Preface to the Special Edition on Femtochemistry and "The Hamburg Conference on Femtochemistry 2015 (FEMTO12)".Structural dynamics (Melville, N.Y.) · 2016Article
- Time-resolved X-ray spectroscopies of chemical systems: New perspectives.Structural dynamics (Melville, N.Y.) · 2016Article
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22 authors.
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Abstract
We utilized femtosecond time-resolved resonant inelastic X-ray scattering and ab initio theory to study the transient electronic structure and the photoinduced molecular dynamics of a model metal carbonyl photocatalyst Fe(CO)5 in ethanol solution. We propose mechanistic explanation for the parallel ultrafast intra-molecular spin crossover and ligation of the Fe(CO)4 which are observed following a charge transfer photoexcitation of Fe(CO)5 as reported in our previous study [Wernet et al., Nature 520, 78 (2015)]. We find that branching of the reaction pathway likely happens in the (1)A1 state of Fe(CO)4. A sub-picosecond time constant of the spin crossover from (1)B2 to (3)B2 is rationalized by the proposed (1)B2 → (1)A1 → (3)B2 mechanism. Ultrafast ligation of the (1)B2 Fe(CO)4 state is significantly faster than the spin-forbidden and diffusion limited ligation process occurring from the (3)B2 Fe(CO)4 ground state that has been observed in the previous studies. We propose that the ultrafast ligation occurs via (1)B2 → (1)A1 → (1)A' Fe(CO)4EtOH pathway and the time scale of the (1)A1 Fe(CO)4 state ligation is governed by the solute-solvent collision frequency. Our study emphasizes the importance of understanding the interaction of molecular excited states with the surrounding environment to explain the relaxation pathways of photoexcited metal carbonyls in solution.
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