Calculating group electronegativities using the revised Lewis-Langmuir equation

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

doi:10.1016/j.theochem.2003.08.004

Calculating group electronegativities using the revised Lewis-Langmuir equation

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

School of Engineering & Physical Sciences

Research output: Contribution to journal › Article › peer-review

21 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 language	English
Pages (from-to)	151-156
Number of pages	6
Journal	Journal of Molecular Structure: THEOCHEM
Volume	639
DOIs	https://doi.org/10.1016/j.theochem.2003.08.004
Publication status	Published - 3 Nov 2003

Keywords

Atomic charge
Group electronegativity

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10.1016/j.theochem.2003.08.004

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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. {\textcopyright} 2003 Elsevier B.V. All rights reserved.",

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AU - Garner-O'Neale, Leah D.

AU - Bonamy, Alcindor F

AU - Meek, Terry L.

AU - Patrick, Brian G.

PY - 2003/11/3

Y1 - 2003/11/3

N2 - 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.

AB - 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.

KW - Atomic charge

KW - Group electronegativity

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U2 - 10.1016/j.theochem.2003.08.004

DO - 10.1016/j.theochem.2003.08.004

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EP - 156

JO - Journal of Molecular Structure: THEOCHEM

JF - Journal of Molecular Structure: THEOCHEM

ER -

Calculating group electronegativities using the revised Lewis-Langmuir equation

Abstract

Keywords

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