Calculating group electronegativities using the revised Lewis-Langmuir equation

Leah D. Garner-O'Neale, Alcindor F Bonamy, Terry L. Meek, Brian G. Patrick

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

Using the revised Lewis-Langmuir equation, the relationship between atomic charge and electronegativity is exploited in order to calculate the group electronegativities of 29 functional groups. The results correlate well with the group electronegativity scales of Boyd and Boyd (r2 = 0.98) and of Inamoto and Masuda (r2 = 0.90). The method also discriminates effectively among isomeric groups. © 2003 Elsevier B.V. All rights reserved.

Original languageEnglish
Pages (from-to)151-156
Number of pages6
JournalJournal of Molecular Structure: THEOCHEM
Volume639
DOIs
Publication statusPublished - 3 Nov 2003

Keywords

  • Atomic charge
  • Group electronegativity

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