Using X-ray free-electron lasers for spectroscopy of molecular catalysts and metalloenzymes

U Bergmann, J Kern, RW Schoenlein, P Wernet… - Nature Reviews …, 2021 - nature.com
The metal centres in metalloenzymes and molecular catalysts are responsible for the
rearrangement of atoms and electrons during complex chemical reactions, and they enable …

Ultrafast Spectroscopy of Fe (II) Complexes Designed for Solar‐Energy Conversion: Current Status and Open Questions

C Cebrián, M Pastore, A Monari, X Assfeld… - …, 2022 - Wiley Online Library
One major challenge of future sustainable photochemistry is to replace precious and rare
transition metals in applications such as energy conversion or electroluminescence by earth …

Pyrene-Decoration of a Chromium(0) Tris(diisocyanide) Enhances Excited State Delocalization: A Strategy to Improve the Photoluminescence of 3d6 Metal …

C Wegeberg, D Häussinger… - Journal of the American …, 2021 - ACS Publications
There is a long-standing interest in iron (II) complexes that emit from metal-to-ligand charge
transfer (MLCT) excited states, analogous to ruthenium (II) polypyridines. The 3d6 electrons …

The spin-forbidden transition in iron (IV)-oxo catalysts relevant to two-state reactivity

DB Rice, D Wong, T Weyhermüller, F Neese… - Science …, 2024 - science.org
Quintet oxoiron (IV) intermediates are often invoked in nonheme iron enzymes capable of
performing selective oxidation, while most well-characterized synthetic model oxoiron (IV) …

Nanosecond Metal-to-Ligand Charge-Transfer State in an Fe (II) Chromophore: Lifetime Enhancement via Nested Potentials

JT Malme, RA Clendening, R Ash, T Curry… - Journal of the …, 2023 - ACS Publications
Examples of Fe complexes with long-lived (≥ 1 ns) charge-transfer states are limited to
pseudo-octahedral geometries with strong σ-donor chelates. Alternative strategies based on …

High‐Efficiency Cyan–Green‐Emitting Y3Sc2Ga3O12:Ce Phosphor for Microcrystals and Ultrathin Phosphor‐Glass Composite for Light‐Emitting Diode

Y Zhou, C Li, J Ning, F Tang - Advanced Optical Materials, 2024 - Wiley Online Library
Developing efficient cyan‐green phosphors and ultrathin phosphor‐glass composites
(PGCs) with remarkable chemical and thermal stability is important for fabricating full‐visible …

Reduction of electron repulsion in highly covalent Fe-amido complexes counteracts the impact of a weak ligand field on excited-state ordering

CB Larsen, JD Braun, IB Lozada… - Journal of the …, 2021 - ACS Publications
The ability to access panchromatic absorption and long-lived charge-transfer (CT) excited
states is critical to the pursuit of abundant-metal molecular photosensitizers. Fe (II) …

Resolving femtosecond solvent reorganization dynamics in an iron complex by nonadiabatic dynamics simulations

DB Zederkof, KB Møller, MM Nielsen… - Journal of the …, 2022 - ACS Publications
The ultrafast dynamical response of solute–solvent interactions plays a key role in transition
metal complexes, where charge transfer states are ubiquitous. Nonetheless, there exist very …

Ferricyanide photo-aquation pathway revealed by combined femtosecond Kβ main line and valence-to-core x-ray emission spectroscopy

M Reinhard, A Gallo, M Guo, AT Garcia-Esparza… - Nature …, 2023 - nature.com
Reliably identifying short-lived chemical reaction intermediates is crucial to elucidate
reaction mechanisms but becomes particularly challenging when multiple transient species …

Ultrafast Photophysics of Ni (I)–Bipyridine Halide Complexes: Spanning the Marcus Normal and Inverted Regimes

E Sutcliffe, DA Cagan, RG Hadt - Journal of the American …, 2024 - ACS Publications
Owing to their light-harvesting properties, nickel–bipyridine (bpy) complexes have found
wide use in metallaphotoredox cross-coupling reactions. Key to these transformations are Ni …