The dataset used to support the article's findings can be downloaded from the Harvard Dataverse, , under the CC0 1.0 license. This dataset contains AIMD simulation files, optimized geometries, frequency calculations, and Franck-Condon spectra of all three dyes reported in the article. However, due to the large size of the molecular dynamics trajectories and Gaussian checkpoint files, they are not included in the repository and instead are available on request.