Dynamics of resonant x-ray and Auger scattering

F Gel'mukhanov, M Odelius, SP Polyutov… - Reviews of Modern …, 2021 - APS
An overview of both experimental and theoretical results in the field of resonant scattering of
tunable soft and hard x-ray radiation is presented, with a main focus on the closely related …

Electronic structure of ions and molecules in solution: a view from modern soft X-ray spectroscopies

KM Lange, EF Aziz - Chemical Society Reviews, 2013 - pubs.rsc.org
Soft X-ray spectroscopies are powerful tools for probing the local electronic and molecular
orbital structures of materials in different phases and various environments. While modern …

Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering

V Vaz da Cruz, F Gel'mukhanov, S Eckert… - Nature …, 2019 - nature.com
Local probes of the electronic ground state are essential for understanding hydrogen
bonding in aqueous environments. When tuned to the dissociative core-excited state at the …

Selective gating to vibrational modes through resonant X-ray scattering

RC Couto, VV Cruz, E Ertan, S Eckert, M Fondell… - Nature …, 2017 - nature.com
The dynamics of fragmentation and vibration of molecular systems with a large number of
coupled degrees of freedom are key aspects for understanding chemical reactivity and …

TD-DFT simulations of K-edge resonant inelastic X-ray scattering within the restricted subspace approximation

VV da Cruz, S Eckert, A Föhlisch - Physical Chemistry Chemical …, 2021 - pubs.rsc.org
A scheme for simulations of resonant inelastic X-ray scattering (RIXS) cross-sections within
time-dependent density functional theory (TD-DFT) applying the restricted subspace …

Resonant inelastic x-ray scattering reveals hidden local transitions of the aqueous OH radical

L Kjellsson, KD Nanda, JE Rubensson, G Doumy… - Physical review …, 2020 - APS
Resonant inelastic x-ray scattering (RIXS) provides remarkable opportunities to interrogate
ultrafast dynamics in liquids. Here we use RIXS to study the fundamentally and practically …

Probing hydrogen bonding orbitals: resonant inelastic soft X-ray scattering of aqueous NH 3

L Weinhardt, E Ertan, M Iannuzzi, M Weigand… - Physical Chemistry …, 2015 - pubs.rsc.org
To probe the influence of hydrogen bonding on the electronic structure of ammonia, gas
phase and aqueous NH3 have been investigated using soft X-ray absorption (XAS) …

[HTML][HTML] Identification of the dominant photochemical pathways and mechanistic insights to the ultrafast ligand exchange of Fe (CO) 5 to Fe (CO) 4EtOH

K Kunnus, I Josefsson, I Rajkovic, S Schreck… - Structural …, 2016 - pubs.aip.org
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 …

A study of the water molecule using frequency control over nuclear dynamics in resonant X-ray scattering

VV da Cruz, E Ertan, RC Couto, S Eckert… - Physical Chemistry …, 2017 - pubs.rsc.org
In this combined theoretical and experimental study we report a full analysis of the resonant
inelastic X-ray scattering (RIXS) spectra of H2O, D2O and HDO. We demonstrate that …

Ground state potential energy surfaces around selected atoms from resonant inelastic x-ray scattering

S Schreck, A Pietzsch, B Kennedy, C Såthe… - Scientific reports, 2016 - nature.com
Thermally driven chemistry as well as materials' functionality are determined by the potential
energy surface of a systems electronic ground state. This makes the potential energy surface …