The investigation of electronic excitations in condensed phase is important for understanding of fundamental mechanisms of the excitation energy transfer in artificial and natural photochemical systems. Pyridinium N-phenolate betadine dyes, such as Reichardt’s betaine (2,6-Diphenyl-4-(2,4,6-triphenyl-1-pyridinio)phenolate) and Brooker’s merocyanine (4-[(1-methyl-4(1H)-pyridinylidenethylidene]-2,5-cyclohexadien-1-one) are highly sensitive molecular probes frequently used as empirical indicators for solvent polarity.<br/>This solvatochromic behavior of the dyes was examined with UV-Vis spectroscopy and the density functional theory. The solvatochromic behavior of these molecules was investigated in solvents of varying polarity, ranging from non-polar (e.g. dioxane) to polar (e.g. water) solvents using polarizable continuum and explicit solvent models.

Electronic excitations in Reichardt’s and Brooker’s solvatochromic dyes in solvents of varying polarity

251st National Meeting (2016)

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