Computational and spectral studies of 1,6-diphenyl-1,3,5-hexatriene (DPH) multicomponent solutions

[Display omitted] •The spectral study of some DPH+THF multicomponent solutions in ethanol+water binary solvent has been correlated with the computation results.•The frequency shifts in absorption spectra, previously attributed to dispersive forces, depend on the ratio of E/W in binary solvent.•The m...

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Bibliographic Details
Published inSpectrochimica acta. Part A, Molecular and biomolecular spectroscopy Vol. 115; pp. 382 - 387
Main Authors Hurjui, Ion, Neamtu, Andrei, Dorohoi, Dana Ortansa
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.11.2013
Subjects
Computation methods
DPH
Fluorescence and absorption electronic spectra
Micelle formation
Multicomponent solutions
THF
Fluorescence and absorption electronic spectra
Micelle formation
THF
DPH
Computation methods
Multicomponent solutions
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Summary:[Display omitted] •The spectral study of some DPH+THF multicomponent solutions in ethanol+water binary solvent has been correlated with the computation results.•The frequency shifts in absorption spectra, previously attributed to dispersive forces, depend on the ratio of E/W in binary solvent.•The molecular composition of the first solvation shell of DPH in multicomponent solutions essentially depends on the content E/W of the binary solvent.•In solutions with high water content, THF forms micelles around the DPH molecules, electronic spectra becoming solvent-independent. The multicomponent 1,6-diphenyl-1,3,5-hexatriene+tetrahydrofuran+water+ethanol (DPH+THF+W+E) solutions with variable content in water were studied by computational and spectral means. The computational results that indicate micelle formation in multicomponent solutions at high water content were correlated by the independence of the wavenumber in the maximum of the fluorescence on the solvent composition.
ISSN:1386-1425
DOI:10.1016/j.saa.2013.06.017