Polariton Chemistry: Thinking “inside the box”

In "Polariton Chemistry", the quantum nature of light is harnessed to influence chemical reactivity. Specifically, by placing molecules inside an optical cavity, researchers have observed an intriguing range of effects associated with the creation of hybrid light-matter (polaritonic) states. Despite several recent experimental progresses, a clear theoretical understanding of this effect still eludes us. Chemical reaction mechanisms and rates are sensitive to the extent of Intramolecular Vibrational Energy Redistribution (IVR). It is expected that the theoretical underpinnings of polariton chemistry can be established by characterizing the IVR dynamics of the cavity-molecule system. In our group, we are beginning to understand how the IVR dynamics can be modulated in the presence of the cavity mode - which could be linked to the experimentally observed cavity-induced rate modifications. Here are the projects we are working on in our group.

Driven Coupled Morse Oscillators

Ground state dissociation of diatomic molecules using chirped fields has been studied theoretically and demonstrated in a recent experiment. However, intramolecular vibrational energy redistribution (IVR) is a kind of ‘roadblock’ to controlling the dissociation dynamics of polyatomic molecules using chirped pulses. Recent studies on the mechanism of IVR in unimolecular reaction dynamics indicate that it is possible for molecules undergoing facile IVR to be dynamically stabilized by the presence of “dynamical traps” in molecular phase space. An interesting question to ask is whether appropriate weak laser fields can "guide" the molecules through a sequence of dynamical traps, ultimately leading to the scission of the desired bond. To address this issue, in our group, we are theoretically analyzing the laser-driven dissociation dynamics of a model 2 degrees of freedom (linear HCN) system.

"Never accept an idea as long as you yourself are not satisfied with its consistency and the logical structure on which the concepts are based. Study the masters. These are the people who have made significant contributions to the subject. Lesser authorities cleverly bypass the difficult points...." ----- S. N. Bose