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Time-Dependent Stokes Shift and Its Calculation from Solvent Dielectric Dispersion Data

1997; American Chemical Society; Volume: 101; Issue: 14 Linguagem: Inglês

10.1021/jp9630885

1520-6106

Chao‐Ping Hsu, Xueyu Song, R. A. Marcus,

Free Radicals and Antioxidants

The time-dependent solvation correlation function (the Stokes shift response function), which describes the solvent response to a sudden change in the charge distribution of a solute molecule, is calculated here directly from experimentally measured dielectric dispersion data, ε(ω), of the solvent. In the calculation a reaction field with the dielectric continuum assumption is used. This simple model is applied to the experimental results of Jimenez et al. for photoexcited coumarin and water as a solvent, and encouraging agreement is obtained using the experimental data on ε(ω).