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The “|Δμ| big is good” rule, the maximum hardness, and minimum electrophilicity principles

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Abstract

We show the relation between the “|Δμ| big is good” rule and the maximum hardness and the minimum electrophilicity principles. We focus on a double-exchange acid–base (e.g., charge transfer) reaction. We then prove that the species favored by the “|Δμ| big is good” rule are those such that the multiplication of their hardnesses is the biggest, while the validity of the minimum electrophilicity principle requires other conditions.

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Acknowledgements

We thank NSERC, the Canada Research Chairs, Canarie, and Compute Canada for their support. RAMQ acknowledges funding from York University in the form of a York Science Fellowship.

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Authors and Affiliations

  1. Department of Chemistry, York University, Toronto, ON, Canada

    Ramón Alain Miranda-Quintana

  2. Department of Chemistry and Chemical Biology, McMaster University, Hamilton, ON, Canada

    Ramón Alain Miranda-Quintana & Paul W. Ayers

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  1. Ramón Alain Miranda-Quintana
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  2. Paul W. Ayers
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Correspondence to Ramón Alain Miranda-Quintana.

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Miranda-Quintana, R.A., Ayers, P.W. The “|Δμ| big is good” rule, the maximum hardness, and minimum electrophilicity principles. Theor Chem Acc 138, 44 (2019). https://doi.org/10.1007/s00214-019-2435-0

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