Elementary Derivation of the “|Δμ| Big Is Good” Rule Journal Articles uri icon

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abstract

  • Thirty years ago, Parr and Yang postulated that favorable chemical processes are associated with large changes in the electronic chemical potential or, equivalently, the electronegativity. They called this the "|Δμ| big is good" rule and noted that if the rule could be justified, then it "would constitute a validation of frontier theory from first principles." We provide a simple and insightful justification for the "|Δμ| big is good" rule, with special emphasis on electron-transfer reactions. Furthermore, we show that it implies Pearson's hard/soft acid/base principle mathematically and confirm this result with numerical examples. This supports Parr's intuition that many other reactivity precepts arise as corollaries to the more fundamental "|Δμ| big is good" rule. In all of this, it is essential to consider the intensive nature of the chemical potential.

authors

  • Miranda-Quintana, Ramón Alain
  • Heidar-Zadeh, Farnaz
  • Ayers, Paul

publication date

  • August 2, 2018