Non-Born-Oppenheimer Molecular Dynamics Observed by Coherent Nuclear Wave Packets.
Journal
The journal of physical chemistry letters
ISSN: 1948-7185
Titre abrégé: J Phys Chem Lett
Pays: United States
ID NLM: 101526034
Informations de publication
Date de publication:
06 Feb 2020
06 Feb 2020
Historique:
pubmed:
14
1
2020
medline:
14
1
2020
entrez:
14
1
2020
Statut:
ppublish
Résumé
The reaction dynamics of a photochemical reaction is typically described by reaction coordinates based on the Born-Oppenheimer (BO) approximation. A strong interaction between electrons and nuclei, conventionally occurring at conical intersections, however, breaks the BO approximation and has major consequences for the efficiency of a photochemical reaction. Despite its importance, related studies into the non-BO dynamics are scarce. Here, we investigate the non-BO dynamics of excited-state intramolecular proton transfer (ESIPT) occurring in 10-hydroxybenzo[
Identifiants
pubmed: 31927968
doi: 10.1021/acs.jpclett.9b03488
doi:
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM