Linear relationship between emission quantum yield and Stokes shift in 3-styryl aza-coumarin based dyes in the presence of cyclodextrins

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dc.contributor.authorAlcazar, Jackson J.
dc.contributor.authorGarcia-Rio, Luis
dc.contributor.authorRobles, Agustin I.
dc.contributor.authorDinamarca-Villarroel, Luis
dc.contributor.authorFierro, Angelica
dc.contributor.authorSantos, Jose G.
dc.contributor.authorAliaga, Margarita E.
dc.date.accessioned2025-01-20T20:14:11Z
dc.date.available2025-01-20T20:14:11Z
dc.date.issued2023
dc.description.abstractThe 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 rela-tionship 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 emis-sion 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 cyclodex-trins, and supported by calculations based on density functional theory.(c) 2023 Elsevier B.V. All rights reserved.
dc.fuente.origenWOS
dc.identifier.doi10.1016/j.molliq.2023.121790
dc.identifier.eissn1873-3166
dc.identifier.issn0167-7322
dc.identifier.urihttps://doi.org/10.1016/j.molliq.2023.121790
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/92178
dc.identifier.wosidWOS:000988747500001
dc.language.isoen
dc.revistaJournal of molecular liquids
dc.rightsacceso restringido
dc.subjectAza-Coumarin dyes
dc.subjectIntramolecular rotation
dc.subjectIntramolecular charge transfer
dc.subjectCyclodextrin inclusion
dc.subjectEmission quantum yield
dc.subjectStokes shift
dc.subjectSupramolecular chemistry
dc.subject.ods03 Good Health and Well-being
dc.subject.odspa03 Salud y bienestar
dc.titleLinear relationship between emission quantum yield and Stokes shift in 3-styryl aza-coumarin based dyes in the presence of cyclodextrins
dc.typeartículo
dc.volumen381
sipa.indexWOS
sipa.trazabilidadWOS;2025-01-12
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