Fig. 4: Cavity modification of chemical reactivity in complex molecular systems.
From: Quantum dynamical effects of vibrational strong coupling in chemical reactivity
a Schematic illustration of a molecular system embedded in a structured environment and coupled to a lossy cavity. Here, R, qc, and Q are coordinates of the reaction coordinate, cavity photon mode, and a spectator mode, respectively. Cavity modification of chemical reactivity at (b) various light–matter coupling values ηc with fixed coupling between the reaction coordinate and spectator mode of CQ = 5 × 10−7 a.u. and at various values of (c) CQ with fixed ηc = 0.005 a.u. d Similar to (a) but with the cavity coupling to the spectator mode Q. e, f are similar to b and c but for the model system illustrated in (d). The cavity lifetime is set to τc = 1000 fs. Here, κ(ωc) is the cavity-modified rate constant as a function of the photon frequency ωc and κ0 is the rate constant outside the cavity. Source data are provided as a Source Data file.
