Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum–Classical Vibronic Approaches—Application to Coumarin C153 in Methanol

Non-Phenomenological Description of the Time-Resolved Emission in Solution with Quantum–Classical Vibronic Approaches—Application to Coumarin C153 in Methanol

We report a joint experimental and theoretical work on the steady-state spectroscopy and time-resolved emission of the coumarin C153 dye in methanol. The lowest energy excited state of this molecule is characterized by an intramolecular charge transfer thus leading to remarkable shifts of the time-r...

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Bibliographic Details
Main Authors: Javier Cerezo, Sheng Gao, Nicola Armaroli, Francesca Ingrosso, Giacomo Prampolini, Fabrizio Santoro, Barbara Ventura, Mariachiara Pastore
Format: Article
Language:English
Published: MDPI AG 2023-05-01
Series:Molecules
Subjects:
time-resolved emission spectroscopy
mixed quantum chemical approaches
force field parameterization
molecular dynamics
time-dependent density functional theory
vibronic approaches
Online Access:https://www.mdpi.com/1420-3049/28/9/3910

Internet

https://www.mdpi.com/1420-3049/28/9/3910

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