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.
|Number of pages||6|
|Journal||Journal of Molecular Structure: THEOCHEM|
|Publication status||Published - 3 Nov 2003|
- Atomic charge
- Group electronegativity