Abstract Short wavelength Free-Electron Lasers (FELs) are among the newest light sources
available to scientists to probe a wide range of phenomena, with chemical, physical and …

X-ray free-electron lasers with intense, tuneable and short-pulse X-ray radiation are
transformative tools for the investigation of transition-metal complexes and metalloproteins …

Excitation of iron pentacarbonyl [Fe (CO) 5], a prototypical photocatalyst, at 266 nm causes
the sequential loss of two CO ligands in the gas phase, creating catalytically active …

The conversion of photon energy into other energetic forms in molecules is accompanied by
charge moving on ultrafast timescales. We directly observe the charge motion at a specific …

Accurate simulations of transient X-ray photoelectron spectra (XPS) provide unique
opportunities to bridge the gap between theory and experiment in understanding the …

Time-resolved X-ray photoelectron spectroscopy (TR-XPS) is used in a simulation study to
monitor the excited state intramolecular proton transfer between oxygen and nitrogen atoms …

Recent developments in X-ray free-electron lasers have enabled a novel site-selective
probe of coupled nuclear and electronic dynamics in photoexcited molecules, time-resolved …

Inner-shell photoelectron spectroscopy provides an element-specific probe of molecular
structure, as core-electron binding energies are sensitive to the chemical environment. Short …

It is well known that ultraviolet photoexcitation of iron pentacarbonyl results in rapid loss of
carbonyl ligands leading to the formation of coordinatively unsaturated iron carbonyl …

Understanding proton transfer (PT) dynamics in condensed phases is crucial in chemistry.
We computed a 2D map of N 1s X-ray photoelectron/absorption spectroscopy (XPS/XAS) for …