Solvent influence on the electronic absorption spectra (EAS) of 1,6-diphenyl-1,3,5-hexatriene (DPH)
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Uracil derivatives are potentially biologically active compounds, so the investigation of their physical and chemical properties is very important for their further application. In this work a series of newly synthesized derivatives of uracil was investigated by applying the spectrophotometric method. The absorption spectra were recorded in seventeen solvents with different properties. The effect of solvent was interpreted by Kamlet-Taft solvatochromic model. The dominance and the types of interactions that occur between the investigated derivatives and solvent were interpreted by applying the multiple linear correlation obtained values of absorption maxima and Hansen's solvent parameters. In addition to the effect of solvent, the influence of substituents in the molecule on absorption spectra was studied by applying Hammett equation.
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Absorption spectra of photochromic spironaphthoxazine dye in various solvents were examined and exhibited a positive solvatochromism. The positive solvatochromism of this dye strongly suggests that the structure of open chain forms is keto type structure, 4a. The effect of structural change on the electronic spectra, on replacement of the C=C bond by C=N bond, is discussed.
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Molecular dipole moments for 24 haloalkanes were calculated from the solvatochromic responses of three well-established Kamlet−Taft probes. For polychloroalkanes, a simple MO model requires that the apparent dipole moment (μi) of the solvent be resolved into contributory terms assigned to an unperturbed dipolar component and the composite polarizability−hyperpolarizabilities of the solvent species. The first term is related to the Kamlet−Taft π* number and the second to the Onsager reaction field parameter O(n2) in the index of refraction. An approximately constant contribution from O(n2) for most of the polychloroalkanes investigated, including three weak hydrogen bond donors (HBD), is in contrast to the regular trends in polarizability for the substituted benzenes accompanying changes in structure.
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The influence of solvent polarity on the absorption spectra of some synthesized azo dye with heterocyclic moieties and ${\beta}$ -naphthol (1-3) have been investigated using a UV-Visible spectrophotometer. The spectral characteristics of the azo dyes (1-3) in different solvents at room temperature were analyzed. The solvatochromic empirical variables like ${\pi}^*$ , ${\alpha}$ , and ${\beta}$ have been used to discuss the solvatochromic behaviour of the dyes and to evaluate their contributions to the solute-solvent interactions. A multi-parameter regression model for quantitative assessment of the solute/solvent interaction and the absorption has been used to explain the solvent effect on azo dyes (1-3).
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The solvatochromic effects of six different solvents on the UV absorption spectrum of 2-thiocytosine have been studied by a combination of experimental and theoretical techniques. The steady-state absorption spectra show significant shifts of the absorption bands, where in more polar solvents the first absorption maximum shifts to higher transition energies and the second maximum to lower energies. The observed solvatochromic shifts have been rationalized using three popular solvatochromic scales and with high-level multireference quantum chemistry calculations including implicit and explicit solvent effects. It has been found that the dipole moments of the excited states account for some general shifts in the excitation energies, whereas the explicit solvent interactions explain the differences in the spectra recorded in the different solvents.
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