Progress and prospects in nonlinear extreme-ultraviolet and X-ray optics and spectroscopy
Free-electron lasers and high-harmonic-generation table-top systems are new sources of
extreme-ultraviolet to hard X-ray photons, providing ultrashort pulses that are intense …
extreme-ultraviolet to hard X-ray photons, providing ultrashort pulses that are intense …
Using X-ray free-electron lasers for spectroscopy of molecular catalysts and metalloenzymes
The metal centres in metalloenzymes and molecular catalysts are responsible for the
rearrangement of atoms and electrons during complex chemical reactions, and they enable …
rearrangement of atoms and electrons during complex chemical reactions, and they enable …
Elucidating the mechanism of excited-state bond homolysis in nickel–bipyridine photoredox catalysts
Ni 2, 2′–bipyridine (bpy) complexes are commonly employed photoredox catalysts of bond-
forming reactions in organic chemistry. However, the mechanisms by which they operate are …
forming reactions in organic chemistry. However, the mechanisms by which they operate are …
The spin-forbidden transition in iron (IV)-oxo catalysts relevant to two-state reactivity
Quintet oxoiron (IV) intermediates are often invoked in nonheme iron enzymes capable of
performing selective oxidation, while most well-characterized synthetic model oxoiron (IV) …
performing selective oxidation, while most well-characterized synthetic model oxoiron (IV) …
Challenges and opportunities for applications of advanced X-ray spectroscopy in catalysis research
X-ray spectroscopy has had a significant and continually growing impact on catalysis
research for nearly 50 years. In particular, the ability to obtain element selective electronic …
research for nearly 50 years. In particular, the ability to obtain element selective electronic …
Reduction of electron repulsion in highly covalent Fe-amido complexes counteracts the impact of a weak ligand field on excited-state ordering
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) …
states is critical to the pursuit of abundant-metal molecular photosensitizers. Fe (II) …
A new era of LMCT: leveraging ligand-to-metal charge transfer excited states for photochemical reactions
AM May, JL Dempsey - Chemical Science, 2024 - pubs.rsc.org
Ligand-to-metal charge transfer (LMCT) excited states are capable of undergoing a wide
array of photochemical reactions, yet receive minimal attention compared to other charge …
array of photochemical reactions, yet receive minimal attention compared to other charge …
Elucidation of structure–activity correlations in a nickel manganese oxide oxygen evolution reaction catalyst by operando Ni L-edge X-ray absorption spectroscopy …
Herein, we report the synthesis and electrochemical oxygen evolution experiments for a
graphene-supported Ni3MnO4 catalyst. The changes that occur at the Ni active sites during …
graphene-supported Ni3MnO4 catalyst. The changes that occur at the Ni active sites during …
Computational approaches for XANES, VtC-XES, and RIXS using linear-response time-dependent density functional theory based methods
The emergence of state-of-the-art X-ray light sources has paved the way for novel
spectroscopies that take advantage of their atomic specificity to shed light on fundamental …
spectroscopies that take advantage of their atomic specificity to shed light on fundamental …
Theoretical X‐ray spectroscopy of transition metal compounds
X‐ray spectroscopy is one of the most powerful tools to access structure and properties of
matter in different states of aggregation as it allows to trace atomic and molecular energy …
matter in different states of aggregation as it allows to trace atomic and molecular energy …