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We note that in the cases of tetrazine and dimethyltetrazine, where the solvation dynamics being observed appears to be mainly related to dispersion interactions, the dynamics of solvation has also been modeled using a continuum solvent approach (ref 45a). Rather than focusing on dielectric behavior, the model instead treats the solvent as an elastic continuum and relates the observable dynamics to relaxation of shear waves in the fluid.
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More sophisticated modeling has been performed in which the electronic structure of the solute has been allowed to equilibrate in response to the solvent. For example, refs 61b and 61d have considered the behavior of a solute whose charge distribution reacts to the state of the classical solvent via a quantum mechanical polarizability (see also ref 52a for a classical analog). The dynamics observed with these quantum-mechanical solutes are not substantially different from the behavior observed with classical solutes. (See also the discussion of electron solvation and refs 75 and 77.)
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