Dipolar solvation dynamics

Mark Maroncelli, Edward W. Castner, Biman Bagchi, Graham R. Fleming

Research output: Contribution to journalArticlepeer-review

52 Scopus citations


The dynamics of solvation of newly created dipoles is discussed. Developments of standard continuum models to include non-Debye dielectric response and saturation effects are described. Equilibrium and non-equilibrium molecular-dynamics simulations of ST2 model water are described. The simulations predict non-exponential solvation dynamics as a result of the radial dependence of the solvent response. Experimental data on time-resolved fluorescence Stokes shifts for a number of probe molecules in a variety of polar solvents are discussed in the context of the theoretical results.

Original languageEnglish (US)
Pages (from-to)199-210
Number of pages12
JournalFaraday Discussions of the Chemical Society
StatePublished - 1988

All Science Journal Classification (ASJC) codes

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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