The Negative Solvatochromism of Reichardt's Dye B30 - A Complementary Study.

ABSTRACT: The UV/Vis spectra of a hypothetical negative solvatochromic dye in a solvent are theoretically calculated assuming the classical damped harmonic oscillator model and the Lorentz-Lorenz relation. For the simulations, the oscillator strength of the solvent was varied, while for the solute all oscillator parameters were kept constant. As a result, a simple change of the oscillator strength of the solute can explain the redshift and intensity increase of the UV/Vis band of the solute. Simulated results are compared with measured UV/Vis spectroscopic data of 2,6-diphenyl-4-(2,4,6-triphenylpyridinium-1-yl) phenolate B30 (Reichardt's dye) Significant correlations of the absorption energy (1/λ_max ) with the molar absorption coefficient ϵ as function of solvent polarity are demonstrated

SUBMITTER: Spange S 

PROVIDER: S-EPMC9400910 | biostudies-literature | 2022 Jul

REPOSITORIES: biostudies-literature