Description du projet
Un nouveau cadre pour étudier les effets du couplage fort vibrationnel
Le couplage fort vibrationnel (VSC pour «vibrational strong coupling») désigne la formation d’états hybrides lumière-matière créés par le couplage de vibrations moléculaires à des cavités optiques. Le fait que ce phénomène d’électrodynamique quantique à cavité permette potentiellement de modifier la réactivité chimique a suscité un intérêt considérable dans les milieux universitaire et industriel. Les recherches expérimentales et théoriques restent toutefois limitées dans ce domaine. Financé par le programme Actions Marie Skłodowska-Curie, le projet ExVib propose une approche systématique visant à étudier la manière dont le VSC affecte les réactions chimiques ainsi que le mécanisme réactionnel sous-jacent. Différentes réactions d’un groupe fonctionnel donné (le groupe carbonyle) seront passées au crible pour examiner les effets du VSC.
Objectif
Exploring Chemistry under Vibration Strong Coupling: In the past several years, it has been shown experimentally that a cavity quantum electrodynamics phenomenon called vibrational strong coupling (VSC) can change chemical reactivity. This includes modification of reaction kinetics, product distributions and binding thermodynamics. VSC relies on the formation of hybrid light-matter states created by coupling molecular vibrations to photonic cavities. VSC utilizes light-matter interactions, without the need for any light as such, to modify the molecular wavefunction. The possibility of modifying chemical reactivity with VSC has generated considerable excitement in both academia and industry around the world.
However, nobody is yet able to predict the outcome of chemical reactions under VSC. We lack an established theoretical framework and have only a limited number of experimental studies to rely on. This poses both a fundamental question and an impediment towards any future application. There is now a clear need for a systematic approach to reach a new level of insight and understanding of the underlying mechanisms at play in this phenomenon.
This project proposes a systematic approach to study chemical reactivity under VSC in order to establish when and how VSC affects reactions and their mechanism. A single reaction, acyl substitution, which occurs on many structurally different substates will be examined in depth using tools like Hammett mapping and Eyring analysis. Subsequently, different reactions of a single functional group, being the carbonyl group, will be screened for VSC effects. All of this serves to uncover any pattern of effects experimentally and will generate a rich data set which can be used by theory groups construct new models and verify existing ones.
Champ scientifique
Programme(s)
- HORIZON.1.2 - Marie Skłodowska-Curie Actions (MSCA) Main Programme
Régime de financement
HORIZON-AG-UN - HORIZON Unit GrantCoordinateur
40100 Jyvaskyla
Finlande