Natural and engineered charge-transfer and diradical state mixing and retinal chromophore dynamics
File(s)
Published version (online)
Author(s)
Olivucci, Massimo
Robb, Mike A
Type
Journal Article
Abstract
Recent experimental and computational results show that a second singlet electronic state may be transiently populated during the photoisomerization of retinal chromophores. Such state is doubly excited and it is therefore qualitatively different from the spectroscopically allowed singly excited state featuring a charge-transfer character. In this contribution, we review and discuss the consequences of the mixing of these two states on the photoinduced dynamics of different models of the retinal chromophore. In doing so we consider the results of simulations carried out using quantum-classical trajectories driven by Born-Oppenheimer forces, as well as using methods where both electron and nuclear motions are simultaneously propagated with the quantum Ehrenfest approach. We conclude that electronic state mixing is a viable strategy for modulating the retinal chromophore dynamics and reactivity in both natural and artificial systems.
Date Issued
2026-09-24
Date Acceptance
2026-09-21
Citation
Physical Chemistry, Chemical Physics - PCCP, 2026
ISSN
1463-9076
Publisher
Royal Society of Chemistry
Journal / Book Title
Physical Chemistry, Chemical Physics - PCCP
Copyright Statement
© 2026 The Author(s). Published by the Royal Society of Chemistry on behalf of the Owner Societies This article is licensed under a Creative Commons Attribution 4.0 Unported Licence. You can use material from this article in other publications without requesting further permissions from the RSC, provided that the correct acknowledgement is given.
License URL
Identifier
10.1039/d6cp02043g
Publication Status
Published online
Date Publish Online
2026-09-24