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Electronegativity equalization and its applications

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Electronegativity

Part of the book series: Structure and Bonding ((STRUCTURE,volume 66))

Abstract

Applications of the electronegativity equalization principle for qualitatively as well as quantitatively predicting intrinsic properties of atoms in a molecule (partial charges, charge reorganizations due to molecular interactions) and of reaction energies are reviewed and supplemented with original data. The emphasis is placed on the “effective” electronegativity of an atom in a molecule and its equalization, producing two chemically important parameters: the average electronegativity and partial charges. Several formalisms for obtaining this chemically pertinent information are compared. Depending on the property under investigation, these parameters may, separately or combined, characterize the physico-chemical properties of the molecule.

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Author information

Authors and Affiliations

  1. Department of Chemistry, University of North Carolina, 27514, Chapel Hill, North Carolina, USA

    Wilfried J. Mortier

  2. Laboratorium voor oppervlaktechemie, Kard. Mercierlaan 92, B-3030, Leuven (Heverlee), Belgium

    K. U. Leuven

Authors
  1. Wilfried J. Mortier
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  2. K. U. Leuven
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Editor information

Kali Das Sen C. K. Jørgensen

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© 1987 Springer-Verlag

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Mortier, W.J., Leuven, K.U. (1987). Electronegativity equalization and its applications. In: Sen, K.D., Jørgensen, C.K. (eds) Electronegativity. Structure and Bonding, vol 66. Springer, Berlin, Heidelberg. https://doi.org/10.1007/BFb0029839

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  • DOI: https://doi.org/10.1007/BFb0029839

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  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-540-17740-1

  • Online ISBN: 978-3-540-47786-0

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