Solute-dependent solvent force constants for ion pairs and neutral pairs in a polar solvent

Emily A. Carter, James T. Hynes

Research output: Contribution to journalArticle

186 Scopus citations

Abstract

The solvent force constants k characterizing the fluctuations of a polar solvent in the presence of a solute ion pair A+B- and a neutral pair AB are determined by molecular dynamics simulation. The origin of the observed difference in the k values and the consequences for electron-transfer rate-reaction free energy gap behavior are discussed.

Original languageEnglish (US)
Pages (from-to)2184-2187
Number of pages4
JournalJournal of physical chemistry
Volume93
Issue number6
DOIs
StatePublished - Jan 1 1989
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Engineering(all)
  • Physical and Theoretical Chemistry

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