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Reactivity and charge transfer beyond the parabolic model: the “|Δµ| big is good” principle.
  • Ramon Miranda-Quintana,
  • P. Ayers,
  • Farnaz Heidar-Zadeh
Ramon Miranda-Quintana
University of Florida

Corresponding Author:[email protected]

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P. Ayers
McMaster University
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Farnaz Heidar-Zadeh
Queen's University
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We discuss an extension of the venerable Parr-Pearson parabolic charge transfer model that explicitly includes 3rd order effects. We then use this new model to provide new arguments supporting the validity of Parr and Yang’s “|Δµ| big is good” (DMB) principle. Additionally, we show how to re-derive this principle from the Parr-Pearson parabolic model, using simpler arguments than those presented in our previous proof of the DMB rule.
08 Jan 2021Published in ChemistrySelect volume 6 issue 1 on pages 96-100. 10.1002/slct.202004055