As shown in Figure , both 3 MLCT and 3 MC states are populated throughout the simulation, so Figure represents a complex superposition of the solvent dynamics around MLCT and MC states and the electronic dynamics. To disentangle the solvent response of these two characters, Figure visualizes the ∆3D-SDFs at 5000 fs (relative to the ground state equilibrium) of subsets of trajectories that evolve dominantly in pure 3 MLCT or 3 MC states, respectively. Both subsets were selected to have at least 90% of either character for 84% of the final 1000 fs. This means that the chosen trajectories had either a 3 MLCT or 3 MC population of at least 76% in that time frame. Hence, the shown ∆3D-SDFs are characteristic for the solvent shell of the 3 MLCT and 3 MC states, respectively. We note that, due to the smaller number of trajectories, these ∆3D-SDFs are somewhat more noisy than the ones in Figure , and because the trajectories enter the MLCT/MC state at different times, we only show the distributions at 5000 fs.. In the 3 MLCT manifold (Fig. ), water recedes from the cyanide ligands and increases almost exclusively above and below the bipy ligand with respect to