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Paradigms and Paradoxes: Additive trends in the absolute entropy of monoxides and homonuclear diatomic molecules

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Abstract

In general, entropy is not additive for the system of a single molecule. We show this by demonstrating that the entropy of a monoxide species, before and after subtracting contributions from electronic degeneracies, is in general not equal to the arithmetic mean of the entropies of the corresponding homonuclear diatomic and O2. This calculation is done with 24 elements for which reliable experimental data could verify both the absolute entropy and ground electronic state.

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  1. Drew Z. Spera

    Present address: Department of Chemistry, Virginia Commonwealth University, Richmond, VA, 23220, USA

Authors and Affiliations

  1. Department of Chemistry, University of Maryland, Baltimore County, Baltimore, MD, 21250, USA

    Drew Z. Spera & Joel F. Liebman

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  1. Drew Z. Spera
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  2. Joel F. Liebman
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Correspondence to Joel F. Liebman.

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Spera, D.Z., Liebman, J.F. Paradigms and Paradoxes: Additive trends in the absolute entropy of monoxides and homonuclear diatomic molecules. Struct Chem 31, 81–84 (2020). https://doi.org/10.1007/s11224-019-01482-y

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  • DOI: https://doi.org/10.1007/s11224-019-01482-y

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