Deciphering photoinduced catalytic reaction mechanisms in natural and artificial photosynthetic systems on multiple temporal and spatial scales using X-ray probes

LX Chen, J Yano - Chemical Reviews, 2024 - ACS Publications
Utilization of renewable energies for catalytically generating value-added chemicals is
highly desirable in this era of rising energy demands and climate change impacts. Artificial …

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 …

Activating dynamic atomic-configuration for single-site electrocatalyst in electrochemical CO2 reduction

CS Hsu, J Wang, YC Chu, JH Chen, CY Chien… - Nature …, 2023 - nature.com
One challenge for realizing high-efficiency electrocatalysts for CO2 electroreduction is
lacking in comprehensive understanding of potential-driven chemical state and dynamic …

Direct observation of coherent femtosecond solvent reorganization coupled to intramolecular electron transfer

E Biasin, ZW Fox, A Andersen, K Ledbetter, KS Kjær… - Nature …, 2021 - nature.com
It is well known that the solvent plays a critical role in ultrafast electron-transfer reactions.
However, solvent reorganization occurs on multiple length scales, and selectively …

KiMoPack: A python Package for Kinetic Modeling of the Chemical Mechanism

C Müller, T Pascher, A Eriksson… - The Journal of …, 2022 - ACS Publications
Herein, we present KiMoPack, an analysis tool for the ki netic mo deling of transient
spectroscopic data. KiMoPack enables a state-of-the-art analysis routine including data …

Progress in the theory of x-ray spectroscopy: From quantum chemistry to machine learning and ultrafast dynamics

CD Rankine, TJ Penfold - The Journal of Physical Chemistry A, 2021 - ACS Publications
The development of high-brilliance third-and fourth-generation light sources such as
synchrotrons and X-ray free-electron lasers (XFELs), the emergence of laboratory-based X …

Surface hop** dynamics on vibronic coupling models

JP Zobel, M Heindl, F Plasser, S Mai… - Accounts of chemical …, 2021 - ACS Publications
Conspectus The simulation of photoinduced non-adiabatic dynamics is of great relevance in
many scientific disciplines, ranging from physics and materials science to chemistry and …

Beyond the First Coordination Sphere─ Manipulating the Excited-State Landscape in Iron (II) Chromophores with Protons

K Witas, SS Nair, T Maisuradze, L Zedler… - Journal of the …, 2024 - ACS Publications
Molecular transition metal chromophores play a central role in light harvesting and energy
conversion. Recently, earth-abundant transition-metal-based chromophores have begun to …

Capturing photochemical and photophysical transformations in iron complexes with ultrafast X-ray spectroscopy and scattering

KJ Gaffney - Chemical science, 2021 - pubs.rsc.org
Light-driven chemical transformations provide a compelling approach to understanding
chemical reactivity with the potential to use this understanding to advance solar energy and …

Multifaceted Deactivation Dynamics of Fe(II) N-Heterocyclic Carbene Photosensitizers

L Lindh, T Pascher, S Persson, Y Goriya… - The Journal of …, 2023 - ACS Publications
Excited state dynamics of three iron (II) carbene complexes that serve as prototype Earth-
abundant photosensitizers were investigated by ultrafast optical spectroscopy. Significant …