Author, as appears in the article.: Castro P; Perveaux A; Lauvergnat D; Reguero M; Lasorne B
Department: Química Física i Inorgànica
URV's Author/s: Reguero de la Poza, Maria del Mar
Keywords: Hashtag Etiqueta «#» @uroweb @residentesaeu @infoAeu
Abstract: © 2018 Elsevier B.V. Upon UV light absorption, 4-aminobenzonitrile undergoes an ultrafast radiationless decay process from a charge-transfer state to a locally-excited state. This pathway proceeds through an extended seam of conical intersections between the second- and first-excited singlet electronic states. Quantum dynamics simulations show that planar geometries dominate the earlier times (<20 fs), after which the whole seam becomes explored, as the wavepacket spreads and breathes along both sides of the unstable ridge with respect to the amino-bending coordinate.
Thematic Areas: Química Physics, atomic, molecular & chemical Physics and astronomy (miscellaneous) Physics and astronomy (all) Physical and theoretical chemistry Odontología Medicina i Materiais Interdisciplinar General physics and astronomy Ensino Engenharias iv Engenharias iii Engenharias ii Ciências biológicas i Ciências ambientais Ciências agrárias i Chemistry, physical Biotecnología Biodiversidade Astronomia / física
licence for use: https://creativecommons.org/licenses/by/3.0/es/
ISSN: 03010104
Author's mail: mar.reguero@urv.cat
Author identifier: 0000-0001-9668-8265
Record's date: 2024-09-07
Papper version: info:eu-repo/semantics/acceptedVersion
Link to the original source: https://www.sciencedirect.com/science/article/abs/pii/S0301010418300272?via%3Dihub
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: Chemical Physics. 509 30-36
APA: Castro P; Perveaux A; Lauvergnat D; Reguero M; Lasorne B (2018). Ultrafast internal conversion in 4-aminobenzonitrile occurs sequentially along the seam. Chemical Physics, 509(), 30-36. DOI: 10.1016/j.chemphys.2018.03.013
Article's DOI: 10.1016/j.chemphys.2018.03.013
Entity: Universitat Rovira i Virgili
Journal publication year: 2018
Publication Type: Journal Publications
Repositori URV