Solvation dynamics in methanol: Experimental and molecular dynamics simulation studies

Sandra J. Rosenthal, Ralph Jimenez, Graham R. Fleming, P. V. Kumar, M. Maroncelli

Research output: Contribution to journalArticle

143 Scopus citations

Abstract

We have investigated the ultrafast dynamics of methanol by time dependent fluorescent shift experiments and molecular dynamic simulations. The experiments were performed with two different probe molecules, 1-aminonaphthalene and coumarin 153. The molecular dynamic simulations employed these probes as well as small atomic and diatomic solutes. We find a previously unobserved fast decay component in the solvation response of methanol. The molecular dynamics results are in good agreement with this experimental result. The origin of this fast response and the linearity of the solvent response are discussed.

Original languageEnglish (US)
Pages (from-to)25-56
Number of pages32
JournalJournal of Molecular Liquids
Volume60
Issue number1-3
DOIs
StatePublished - Jul 1994

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry

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