Photoinduced structural dynamics of molecular systems mapped by time-resolved X-ray methods

M Chergui, E Collet - Chemical reviews, 2017 - ACS Publications
We review the tremendous advances in ultrafast X-ray science, over the past 15 years,
making the best use of new ultrashort X-ray sources including table-top or large-scale …

Ultrafast photophysics of transition metal complexes

M Chergui - Accounts of chemical research, 2015 - ACS Publications
Conspectus The properties of transition metal complexes are interesting not only for their
potential applications in solar energy conversion, OLEDs, molecular electronics, biology …

Trajectory Surface-Hopping Dynamics Including Intersystem Crossing in [Ru(bpy)3]2+

AJ Atkins, L González - The Journal of Physical Chemistry Letters, 2017 - ACS Publications
Surface-hopping dynamics coupled to linear response TDDFT and explicit nonadiabatic and
spin–orbit couplings have been used to model the ultrafast intersystem crossing (ISC) …

On the mechanism of vibrational control of light-induced charge transfer in donor–bridge–acceptor assemblies

M Delor, T Keane, PA Scattergood, IV Sazanovich… - Nature …, 2015 - nature.com
Nuclear–electronic (vibronic) coupling is increasingly recognized as a mechanism of major
importance in controlling the light-induced function of molecular systems. It was recently …

Multiple Triplet Metal‐Centered Jahn‐Teller Isomers Determine Temperature‐Dependent Luminescence Lifetimes in [Ru(bpy)3]2+

D Hernández‐Castillo, REP Nau… - Angewandte Chemie …, 2023 - Wiley Online Library
Understanding the factors that determine the luminescence lifetime of transition metal
compounds is key for applications in photocatalysis and photodynamic therapy. Here we …

Understanding charge dynamics in dense electronic manifolds in complex environments

F Perrella, A Petrone, N Rega - Journal of Chemical Theory and …, 2023 - ACS Publications
Photoinduced charge transfer (CT) excited states and their relaxation mechanisms can be
highly interdependent on the environment effects and the consequent changes in the …

Ultrafast Spectroscopy of Fe (II) Complexes Designed for Solar‐Energy Conversion: Current Status and Open Questions

C Cebrián, M Pastore, A Monari, X Assfeld… - …, 2022 - Wiley Online Library
One major challenge of future sustainable photochemistry is to replace precious and rare
transition metals in applications such as energy conversion or electroluminescence by earth …

On the interplay between charge, spin and structural dynamics in transition metal complexes

M Chergui - Dalton Transactions, 2012 - pubs.rsc.org
This perspective presents some recent results concerning ultrafast intramolecular relaxation
processes in metal-based molecular complexes. Ultrafast electronic/vibrational relaxation at …

Vibronic coherence evolution in multidimensional ultrafast photochemical processes

JD Gaynor, J Sandwisch, M Khalil - Nature communications, 2019 - nature.com
The complex choreography of electronic, vibrational, and vibronic couplings used by
photoexcited molecules to transfer energy efficiently is remarkable, but an unambiguous …

Nature of the ultrafast interligands electron transfers in dye-sensitized solar cells

F Perrella, X Li, A Petrone, N Rega - JACS Au, 2022 - ACS Publications
Charge-transfer dynamics and interligand electron transfer (ILET) phenomena play a pivotal
role in dye-sensitizers, mostly represented by the Ru-based polypyridyl complexes, for TiO2 …