Reaction dynamics studied via femtosecond X-ray liquidography at X-ray free-electron lasers

EH Choi, Y Lee, J Heo, H Ihee - Chemical Science, 2022 - pubs.rsc.org
X-ray free-electron lasers (XFELs) provide femtosecond X-ray pulses suitable for pump–
probe time-resolved studies with a femtosecond time resolution. Since the advent of the first …

Structural dynamics of proteins explored via time-resolved x-ray liquidography

Y Lee, H Lee, H Ihee - Chemical Physics Reviews, 2022 - pubs.aip.org
The structure of a protein is closely related to its biological function. In this regard, structural
changes, as well as static structures, have been scrutinized as essential elements in …

Observing the structural evolution in the photodissociation of diiodomethane with femtosecond solution X-ray scattering

MR Panman, E Biasin, O Berntsson, M Hermann… - Physical Review Letters, 2020 - APS
Resolving the structural dynamics of the initial steps of chemical reactions is challenging.
We report the femtosecond time-resolved wide-angle x-ray scattering of the …

[HTML][HTML] Integrating solvation shell structure in experimentally driven molecular dynamics using x-ray solution scattering data

DJ Hsu, D Leshchev, I Kosheleva… - The Journal of …, 2020 - pubs.aip.org
In the past few decades, prediction of macromolecular structures beyond the native
conformation has been aided by the development of molecular dynamics (MD) protocols …

Ultrafast structural dynamics of in-cage isomerization of diiodomethane in solution

H Kim, JG Kim, TW Kim, SJ Lee, S Nozawa… - Chemical …, 2021 - pubs.rsc.org
Despite extensive studies on the isomer species formed by photodissociation of haloalkanes
in solution, the molecular structure of the precursor of the isomer, which is often assumed to …

Femtosecond x-ray liquidography visualizes wavepacket trajectories in multidimensional nuclear coordinates for a bimolecular reaction

JG Kim, EH Choi, Y Lee, H Ihee - Accounts of Chemical Research, 2021 - ACS Publications
Conspectus Vibrational wavepacket motions on potential energy surfaces are one of the
critical factors that determine the reaction dynamics of photoinduced reactions. The motions …

Sensitivity of time‐resolved diffraction data to changes in internuclear distances and atomic positions

H Jeong, H Ki, JG Kim, J Kim, Y Lee… - Bulletin of the Korean …, 2022 - Wiley Online Library
Time‐resolved x‐ray liquidography (TRXL) is a powerful technique to study molecular
structural dynamics in the solution phase. Typically, a TRXL experiment is conducted during …

[HTML][HTML] Ultrafast spectroscopy and diffraction from XUV to X-ray

M Khalil, S Mukamel - The Journal of Chemical Physics, 2020 - pubs.aip.org
New x-ray and extreme ultraviolet (XUV) light sources generated by free electron lasers
(FELs) in large accelerator facilities or by tabletop high-harmonic generation (HHG) setups …

Structural Dynamics of C2F4I2 in Cyclohexane Studied via Time-Resolved X-ray Liquidography

J Gu, S Lee, S Eom, H Ki, EH Choi, Y Lee… - International Journal of …, 2021 - mdpi.com
The halogen elimination of 1, 2-diiodoethane (C2H4I2) and 1, 2-diiodotetrafluoroethane
(C2F4I2) serves as a model reaction for investigating the influence of fluorination on reaction …

Extracting Kinetics and Thermodynamics of Molecules without Heavy Atoms via Time-Resolved Solvent Scattering Signals

KY Oang, S Park, J Moon, E Park, HK Lee… - The Journal of …, 2023 - ACS Publications
Time-resolved X-ray liquidography (TRXL) has emerged as a powerful technique for
studying the structural dynamics of small molecules and macromolecules in liquid solutions …