Hydrogen bonds play a significant role in modulating photochemistry because they alter the electronic structure of the solute, stabilizing or destabilizing particular electronic states. This, in turn, can shift absorption spectra, induce specific conformational changes, or impact deactivation mechanisms, reaction rates, and excited-state lifetimes. Transition metal complexes can be particularly amenable to changes in reactivity through solvent interactions. One example is [Fe(CN) 4 (bipy)] 2-, which experiences a particularly strong ligand field introduced by the cyanide and bipyridyl ligands, which, combined with its high charge and polarity, destabilizes the metal-centered (MC) states in favor of the metal-to-ligand charge transfer (MLCT) ones. Compared to 4d/5d metals analogues, Earth-abundant transition metal complexes based on 3d metals like Fe tend to have short MLCT lifetimes, limiting their use as photocatalysts. Interestingly, the solvent has a considerable effect on the excited state dynamics of [Fe(CN) 4 (bipy)] 2-: while in water the MLCT states are quenched in less than 200 fs, in dimethyl sulfoxide the lifetimes extend to tens of picoseconds. A recent nonadiabatic dynamics study of [Fe(CN) 4 (bipy)] 2-in explicit water revealed that solvent reorganization occurs on an ultrafast timescale, with water rearranging in about 50 fs around the cyanides, and more slowly around the bpy ligand, while the electronic and Fe-ligand bond dynamics take place over longer timescales. Given the very high computational cost associated with performing excited state simulations on transition metal complexes, and even more so in explicit solution, it has not been possible to resolve in detail the time evolution of solute-solvent interactions so far. Within the widely used surface hopping methodology, investigating non-equilibrium solvent-solute dynamics in three dimensions requires an extremely large amount of trajectories, which is computationally unfeasible for on-the-fly simulations.