Requirements and interpretation of linear free energy relations

Peter E. Doan, Russell S. Drago*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

Abstract

Why are free energies, which are composites of two quantities, ΔH and ΔS, with independent molecular explanations, often correlated with one or two parameters? This question is answered by describing a new functional relationship between ΔG and ΔH that leads to successful correlations. The analysis indicates why the more complex quantity ΔG is better fit by bβ parameters than the simpler quantity ΔH. Limitations of the correlations of ΔG with ΔH and ΔvOH with ΔH are defined. The parameters resulting from the E and C fit of free energies and entropies can be reasonably interpreted in terms of the molecular contributions to the entropy.

Original languageEnglish (US)
Pages (from-to)2772-2774
Number of pages3
JournalJournal of the American Chemical Society
Volume106
Issue number10
DOIs
StatePublished - Jan 1 1984

ASJC Scopus subject areas

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

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