Dipolar solvation dynamics

Mark Maroncelli, Ed Castner, Biman Bagchi, Graham R. Fleming

Research output: Contribution to journalArticle

47 Citations (Scopus)

Abstract

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
Pages (from-to)199-210
Number of pages12
JournalFaraday Discussions of the Chemical Society
Volume85
DOIs
Publication statusPublished - 1988

Fingerprint

Solvation
solvation
Molecular dynamics
simulation
Fluorescence
dipoles
molecular dynamics
continuums
saturation
fluorescence
Molecules
Water
probes
shift
Computer simulation
water
molecules

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Dipolar solvation dynamics. / Maroncelli, Mark; Castner, Ed; Bagchi, Biman; Fleming, Graham R.

In: Faraday Discussions of the Chemical Society, Vol. 85, 1988, p. 199-210.

Research output: Contribution to journalArticle

Maroncelli, Mark ; Castner, Ed ; Bagchi, Biman ; Fleming, Graham R. / Dipolar solvation dynamics. In: Faraday Discussions of the Chemical Society. 1988 ; Vol. 85. pp. 199-210.
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