Nucleophilicity and Vertical Ionization Potentials in Cation-Anion Recombinations

Sason S. Shaik*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

46 Scopus citations

Abstract

Nucleophilicity toward pyronin cation in aqueous solutions is shown to correlate with the vertical ionization potential of the nucleophile in solution. The curve crossing model is used to project the basis for this correlation and to derive an equation which is isomorphic with the empirical correlation. The physical significance of the correlation is discussed in terms of the variation in transition-state structure. A link is drawn between the above correlation and Ritchie's N+scale, with due implications on the physical significance of N+.

Original languageEnglish
Pages (from-to)1563-1568
Number of pages6
JournalJournal of Organic Chemistry
Volume52
Issue number8
DOIs
StatePublished - 1 Apr 1987
Externally publishedYes

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