In particular, the results presented here demonstrate how the behavior of MIMs is not only dictated by their chemical structure, but also by their interaction with an external environment that can play an active role, and changing environmental variables such as the solvent type, can have non-trivial (e.g., local and non-averageable) effects. In this sense, the results reported in Fig. show how thinking of a rotaxane as a structural object immersed in a solvent that acts as a "field" may be misleading in some cases while on the contrary, it may be more appropriate to think of rotaxane-plus-solvent as a single, complex molecular system.