Requirements and interpretation of linear free energy relations

Peter E. Doan; Russell S. Drago

doi:10.1021/ja00322a008

Requirements and interpretation of linear free energy relations

Peter E. Doan, Russell S. Drago^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-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 Δv_OH 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 language	English (US)
Pages (from-to)	2772-2774
Number of pages	3
Journal	Journal of the American Chemical Society
Volume	106
Issue number	10
DOIs	https://doi.org/10.1021/ja00322a008
State	Published - Jan 1 1984

ASJC Scopus subject areas

Catalysis
General Chemistry
Biochemistry
Colloid and Surface Chemistry

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AB - 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.

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Requirements and interpretation of linear free energy relations

Abstract

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