CORDIS Project
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This project investigates excited-state intramolecular proton transfer in methyl salicylate using advanced computational methods. The goal is to understand the reaction pathways and dynamics involved, potentially leading to new insights in photochemical processes.
Excited-state intramolecular proton transfer (ESIPT) - where proton transfer occurs after the absorption of a photon - is an important topic for the understanding of photoreactions in organic systems.
The central aim of this proposal is to apply a unique combination of novel computational tools to understand such processes.
We will study methyl salicylate (MS), a ‘floppy’ molecule with a slow proton transfer.
Computationally, our first objective will be to map out the reaction paths and conical…
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