Journal
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
Volume 639, Issue -, Pages 151-156Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.theochem.2003.08.004
Keywords
group electronegativity; atomic charge
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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 (r(2) = 0.98) and of Inamoto and Masuda (r(2) = 0.90). The method also discriminates effectively among isomeric groups. (C) 2003 Elsevier B.V. All rights reserved.
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