Autor según el artículo: Castro P; Perveaux A; Lauvergnat D; Reguero M; Lasorne B
Departamento: Química Física i Inorgànica
Autor/es de la URV: Reguero de la Poza, Maria del Mar
Palabras clave: Life below water
Resumen: © 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.
Áreas temáticas: 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
Acceso a la licencia de uso: https://creativecommons.org/licenses/by/3.0/es/
ISSN: 03010104
Direcció de correo del autor: mar.reguero@urv.cat
Identificador del autor: 0000-0001-9668-8265
Fecha de alta del registro: 2024-11-16
Versión del articulo depositado: info:eu-repo/semantics/acceptedVersion
Enlace a la fuente original: https://www.sciencedirect.com/science/article/abs/pii/S0301010418300272?via%3Dihub
URL Documento de licencia: https://repositori.urv.cat/ca/proteccio-de-dades/
Referencia al articulo segun fuente origial: Chemical Physics. 509 30-36
Referencia de l'ítem segons les normes 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
DOI del artículo: 10.1016/j.chemphys.2018.03.013
Entidad: Universitat Rovira i Virgili
Año de publicación de la revista: 2018
Tipo de publicación: Journal Publications