DSpace Repository :: Browsing by Author "Dinamarca-Villarroel, Luis"

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Linear relationship between emission quantum yield and Stokes shift in 3-styryl aza-coumarin based dyes in the presence of cyclodextrins
(2023) Alcázar, Jackson; García-Río, Luis; Robles, Agustín I.; Dinamarca-Villarroel, Luis; Fierro, Angélica; Santos, José G.; Aliaga, Margarita E.
The effect of the cyclodextrins inclusion on the Stokes shifts and emission quantum yield of three 3-styryl aza-coumarin dyes (SACs) was experimentally and theoretically studied. Preliminary results show a relationship between the emission quantum yield and the calculated binding constants. Supramolecular inclusion was supported by changes in the fluorescence spectra, high-resolution mass spectrometry and molecular dynamics studies. 2,6-di-O-methyl-b-cyclodextrin (DM-b-CD) presented higher binding constants than b-cyclodextrin (b-CD), along with up to a 6-fold increase in emission quantum yield for the SACs. Additionally, a linear negative correlation was obtained between the Stokes shift and the emission quantum yield. This linear and empirical relationship was explained by the action of a unique intramolecular rotation and charge transfer phenomenon in the dyes, which was modulated by cyclodextrins, and supported by calculations based on density functional theory.