Unraveling the Mysteries of Vibrational Strong Coupling

Introduction

Polaritonic Chemistry is a new and exciting field that has emerged from the fusion of chemistry and cavity quantum electrodynamics. In this innovative realm, and specifically under Vibrational Strong Coupling (VSC), hybridizing molecular vibrations with electromagnetic cavity modes has been shown to modify the rate and yield of reactions, solvent polarity, and other molecular properties, in the absence of any illumination.

Background

The prospects for VSC as a versatile tool for chemistry and materials science have sparked a worldwide surge of interest, leading to substantial advances in recent years. Nevertheless, deciphering the underlying mechanisms by which VSC affects material properties still poses formidable challenges, impeding the utilization of VSC to its full potential.

Project Goals

The goal of UnMySt is to construct a complete framework for cavity-controlled chemistry, built upon a comprehensive mechanistic understanding of VSC on both the molecular and supramolecular levels. As leading scientists in the field, we will pursue this goal by joining our forces in seeking answers to these pivotal questions:

1. What is the mechanism that links the local character of molecular reactivity with the collective nature of VSC?
2. Do the thermal equilibrium properties of materials change under VSC and how are such modifications expressed in polaritonic chemistry?
3. What are the manifestations of VSC on non-equilibrium dynamics such as solvent reorganization or charge transfer?
4. Can symmetry considerations provide intuitive guidelines for cavity-controlled chemistry? Can symmetries imposed or broken by the cavity be used to tailor its impact on reactivity?

Methodology

Our synergistic experimental and theoretical efforts will reveal novel physical mechanisms and will lay the qualitative and quantitative foundations for the rational design of strongly coupled molecular systems.

Expected Outcomes

The results of UnMySt will unleash the potential of polaritonic chemistry as a new tool for synthesis and materials science.