Figure 6: Structural trapping dynamics.
From: Coherent structural trapping through wave packet dispersion during photoinduced spin state switching
(a) Schematic representation of the structural trapping during the light-induced spin-state conversion in [Fe(bpy)3]2+ from LS to HS state along the Fe-N distance reaction coordinate r. The photoexcited MLCT (manifold) decays, through the 3T state (t2g5eg1L0), towards the HS state within (120(10) fs) and a large fraction of energy is dissipated. It expands and coherently oscillates (breathing mode, 265 fs period) around the HS equilibrium structure while losing energy. The wave packet disperses at 330 fs time constant and vibrationally cools inside the HS state potential within 1.6 ps. (b) Schematic time evolution of the wave packet in the HS potential based on the simulated distribution model.
