An E and C Modification of the β-π* Solvation Approach

Peter E. Doan, Russell S. Drago*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

30 Scopus citations

Abstract

The specific and nonspecific interactions between a solute and polar solvent are treated by an extension of the E and C equation to incorporate nonspecific solvation. An equation of the general form ΔX = EA*EB + CA*CB + SD* is offered where ΔX is the observable, E* and C* are parameters for the specific donor-acceptor interaction, and S and D* are solute and solvent parameters for the nonspecific solvation interaction. The treatment is compared to the Kamlet-Taft β-π* approach. Similarities and some very significant differences are discussed, indicating the limitations of a β-π* analysis. The fundamental cause of the limitations reported for ΔνOH-ΔH correlations of alcohols is discussed and the correlations are shown to be more general than some reports indicate. The analysis presented lends support to the Kamlet-Taft interpretation of the meaning of bβ, dramatically increases the E and C data base and provides support for the solvation minimized nature of the original E and C data base.

Original languageEnglish (US)
Pages (from-to)4524-4529
Number of pages6
JournalJournal of the American Chemical Society
Volume104
Issue number17
DOIs
StatePublished - Jan 1 1982

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

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