Fig. 5: Resonant cavity suppression of chemical kinetics under strong (post-turnover) solvent-molecule interactions.
From: Quantum dynamical effects of vibrational strong coupling in chemical reactivity
The chemical rate constant κ(ωc) as a function of the cavity photon frequency ωc for a molecular system embedded in a structured environment (same as Fig. 4) when the cavity photon mode coordinate qc is coupled to a the reaction coordinate R (illustrated in Fig. 4a) or b to the spectator mode Q (illustrated in Fig. 4d) computed using exact quantum dynamics (red solid line) and classical dynamics (dashed cyan line) compared with the chemical rate constant in the absence of the cavity (black solid line). Here, κ0 is the chemical rate constant outside cavity. The molecule-spectator mode coupling CQ = 5 × 10−6 a.u. places the system in the post-turnover regime (using an unstructured solvent friction ηs = 0.1ωb). The cavity lifetime is set to τc = 1000 fs and the light–matter coupling is set to ηc = 0.01 a.u. Source data are provided as a Source Data file.
