Articles producció científica> Química Física i Inorgànica

Ultrafast internal conversion in 4-aminobenzonitrile occurs sequentially along the seam

  • Dades identificatives

    Identificador: imarina:4138796
    Handle: https://hdl.handle.net/20.500.11797/imarina4138796
    Autors:
    Castro PPerveaux ALauvergnat DReguero MLasorne B
    Resum:
    © 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.

  • Altres:

    Autor segons l'article: Castro P; Perveaux A; Lauvergnat D; Reguero M; Lasorne B
    Departament: Química Física i Inorgànica
    Autor/s de la URV: Reguero de la Poza, Maria del Mar
    Paraules clau: Life below water
    Resum: © 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.
    Àrees temàtiques: 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
    Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/
    ISSN: 03010104
    Adreça de correu electrònic de l'autor: mar.reguero@urv.cat
    Identificador de l'autor: 0000-0001-9668-8265
    Data d'alta del registre: 2024-11-16
    Versió de l'article dipositat: info:eu-repo/semantics/acceptedVersion
    URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/
    Referència a l'article segons font original: Chemical Physics. 509 30-36
    Referència 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
    Entitat: Universitat Rovira i Virgili
    Any de publicació de la revista: 2018
    Tipus de publicació: Journal Publications

  • Paraules clau:

    Chemistry, Physical,Physical and Theoretical Chemistry,Physics and Astronomy (Miscellaneous),Physics, Atomic, Molecular & Chemical
    Life below water
    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

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