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

  • Ramón Alain Miranda-QuintanaEmail author
  • Paul W. Ayers
Regular Article
  • 99 Downloads

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.

Keywords

Conceptual density functional theory Reactivity principles Chemical potential Chemical hardness Electrophilicity 

Notes

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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Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2019

Authors and Affiliations

  • Ramón Alain Miranda-Quintana
    • 1
    • 2
    Email author
  • Paul W. Ayers
    • 2
  1. 1.Department of ChemistryYork UniversityTorontoCanada
  2. 2.Department of Chemistry and Chemical BiologyMcMaster UniversityHamiltonCanada

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