[HTML][HTML] Charge migration and charge transfer in molecular systems

HJ Wörner, CA Arrell, N Banerji, A Cannizzo… - Structural …, 2017 - pubs.aip.org
The transfer of charge at the molecular level plays a fundamental role in many areas of
chemistry, physics, biology and materials science. Today, more than 60 years after the …

Nonadiabatic effects in electronic and nuclear dynamics

MP Bircher, E Liberatore, NJ Browning, S Brickel… - Structural …, 2017 - pubs.aip.org
The terms adiabatic and nonadiabatic, respectively, are used in many different contexts.
Whereas in classical thermodynamics, adiabatic refers to processes that occur without any …

Tabletop imaging of structural evolutions in chemical reactions demonstrated for the acetylene cation

H Ibrahim, B Wales, S Beaulieu, BE Schmidt… - Nature …, 2014 - nature.com
The introduction of femto-chemistry has made it a primary goal to follow the nuclear and
electronic evolution of a molecule in time and space as it undergoes a chemical reaction …

Auger–Meitner and x-ray absorption spectra of ethylene cation: insight into conical intersection dynamics

BN Cabral Tenorio, J Pedersen, M Barbatti… - The Journal of …, 2023 - ACS Publications
We present a theoretical investigation of the near-edge X-ray absorption fine structure and
the Auger–Meitner decay spectra of ethylene and its cation. Herein, we demonstrate that our …

Time-resolved molecular imaging

J Xu, CI Blaga, P Agostini… - Journal of Physics B …, 2016 - iopscience.iop.org
Time-resolved molecular imaging is a frontier of ultrafast optical science and physical
chemistry. In this article, we review present and future key spectroscopic and microscopic …

Ultrafast internal conversion in ethylene. II. Mechanisms and pathways for quenching and hydrogen elimination

TK Allison, H Tao, WJ Glover, TW Wright… - The Journal of …, 2012 - pubs.aip.org
Through a combined experimental and theoretical approach, we study the nonadiabatic
dynamics of the prototypical ethylene (C 2 H 4) molecule upon π→ π* excitation with 161 nm …

Dissociation and Isomerization Following Ionization of Ethylene: Insights from Nonadiabatic Dynamics Simulations

L Fransén, T Tran, S Nandi… - The Journal of Physical …, 2024 - ACS Publications
Photoionized and electronically excited ethylene C2H4+ can undergo H-loss, H2-loss, and
ethylene–ethylidene isomerization, where the latter entails a hydrogen migration. Recent …

Few-Femtosecond C2H4+ Internal Relaxation Dynamics Accessed by Selective Excitation

M Lucchini, B Mignolet, M Murari… - The Journal of …, 2022 - ACS Publications
Dissociation of the ethylene cation is a prototypical multistep pathway in which the exact
mechanisms leading to internal energy conversions are not fully known. For example, it is …

Photochemical Dynamics of Ethylene Cation C2H4+

B Joalland, T Mori, TJ Martínez… - The journal of physical …, 2014 - ACS Publications
We present a theoretical study of the nonadiabatic effects in ethylene cation C2H4+, the
simplest π radical cation, after photoexcitation to its three lowest doublet excited states. Two …

Ultrafast Relaxation Dynamics of the Ethylene Cation C2H4+

A Ludwig, E Liberatore, J Herrmann… - The journal of …, 2016 - ACS Publications
We present a combined experimental and computational study of the relaxation dynamics of
the ethylene cation. In the experiment, we apply an extreme-ultraviolet-pump/infrared-probe …