Unveiling the Excited State Dynamics of Indole in Solution

In this paper, wereconstruct in detail the dynamicsof the emittingelectronic excited state of aqueous indole, investigating its relaxationmechanism and kinetics to be related to the time-dependent fluorescencesignal. Taking advantage of the results shown in a very recent paper,we were able to model the relaxation process in solution in termsof the transitions between two gas-phase singlet electronic states(L-1(a) and L-1(b)), subsequentlyirreversibly relaxing to the gas-phase singlet dark state ((1)pi sigma*). A comparison of the results with the availableexperimental data shows that the relaxation mechanism we obtain byour theoretical-computational model is reliable, reproducing ratheraccurately all the experimental observables.

Automated summary

In this paper, the dynamics of the emitting electronic excited state of aqueous indole were reconstructed, and its relaxation mechanism and kinetics were investigated with respect to the time-dependent fluorescence signal. Using recent results, the relaxation process in solution was modeled by transitions between two gas-phase singlet electronic states (L-1(a) and L-1(b)), which subsequently irreversibly relaxed to the gas-phase singlet dark state ((1)pi sigma*). A comparison with experimental data showed that the theoretical-computational model accurately reproduced all experimental observables.