A simple interpretation of polar solvation dynamics

Mark Maroncelli, Vijaya P. Kumar, Arno Papazyan

Research output: Contribution to journalArticle

149 Citations (Scopus)

Abstract

In this letter we describe an approximate relationship between the solvation response to changes in solute charge, CV(t), and the reorientational dynamics of molecules in the pure solvent, C1(t). Computer simulations show that the function {C1(t)}αz, where αs is the solvent dipole density, provides a good approximation to CV(t) in a wide variety of systems. This result leads to a simple and intuitive interpretation of the solvation response in terms of molecular motions.

Original languageEnglish (US)
Pages (from-to)13-17
Number of pages5
JournalJournal of Physical Chemistry
Volume97
Issue number1
DOIs
StatePublished - Jan 1 1993

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Solvation
solvation
solutes
computerized simulation
dipoles
Molecules
Computer simulation
approximation
molecules

All Science Journal Classification (ASJC) codes

  • Engineering(all)
  • Physical and Theoretical Chemistry

Cite this

Maroncelli, Mark ; Kumar, Vijaya P. ; Papazyan, Arno. / A simple interpretation of polar solvation dynamics. In: Journal of Physical Chemistry. 1993 ; Vol. 97, No. 1. pp. 13-17.
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A simple interpretation of polar solvation dynamics. / Maroncelli, Mark; Kumar, Vijaya P.; Papazyan, Arno.

In: Journal of Physical Chemistry, Vol. 97, No. 1, 01.01.1993, p. 13-17.

Research output: Contribution to journalArticle

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