Year: 2023
Type: dissertation
Abstract: Kasha-like photochemical reactivity arises from the lowest energy excited state. Conversely, in some cases, photochemical events can also proceed from higher-lying excited states (i.e., Anti-Kasha photochemical events). My project aims to attain a deeper fundamental understanding of Anti-Kasha photochemical reactions occurring on the high-energy excited states potential energy surfaces of organometallic complexes and other interesting molecules. Compounds providing these "hot" photochemical reactions are generally rare and are mostly found via trial and error. The goal is therefore not only to understand these reactions, but also to eventually provide design criteria, enabling the control of photoreactivity and the reduction of energy losses for light-energy conversions. This research will be useful for applications in several areas of photochemistry, including photocatalysis, optoelectronics, and photonic sensors and switches. The project is based on an approach combining quantum chemical and molecular modelling tools, excited state decay rate theory formalisms and kinetic modelling.
Source: Lirias
Author: Veys, Koen
Language: English
Subfield: Physical and Theoretical Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7020042572