Solvation structure and the time-resolved Stokes shift in non-Debye solvents
The Journal of Chemical Physics1990Vol. 93(2), pp. 932–946
Citations Over TimeTop 1% of 1990 papers
Abstract
We develop a microscopic theory of the time-resolved Stokes shift of a chromophore in a polar solvent which incorporates both non-Debye dielectric relaxation and solvation shell structure. The present theory depends on the direct correlation function of the pure solvent, the measured frequency-dependent dielectric constant, and a microscopically derived translational diffusion parameter. We compare the predictions of the theory given here to a variety of experimental results on solvation in protic and aprotic solvents. Good agreement with experiment is found. Our theory compares favorably with the dynamical mean spherical approximation (MSA) theory of time-dependent solvation.
Related Papers
- → Extended Stokes Shift in Fluorescent Proteins: Chromophore–Protein Interactions in a Near-Infrared TagRFP675 Variant(2013)106 cited
- → PW-SMD: A Plane-Wave Implicit Solvation Model Based on Electron Density for Surface Chemistry and Crystalline Systems in Aqueous Solution(2024)13 cited
- → First-Shell Solvation of Ion Pairs: Correction of Systematic Errors in Implicit Solvent Models(2004)78 cited
- → Influence of non-Debye relaxation and of molecular shape on the time dependence of the stokes shift in polar media(1988)70 cited
- → Inverted solvatochromic Stokes shift in GFP-like chromophores with extended conjugation(2018)