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View of Lone Electron Pairs and Their Role in...
Journal article

View of Lone Electron Pairs and Their Role in Structural Chemistry

Abstract

Nonbonding valence electrons, better known as lone pairs, are found in all anions as well as in cations in their lower oxidation states. In this paper the properties of lone pairs are analyzed using a bond valence model defined in terms of a core-and-valence-shell picture, which can be reduced to the point charges of the ionic model. A bond is defined in terms of the electrostatic flux linking the atoms. When the lone pairs are inactive, they …

Authors

Brown ID

Journal

The Journal of Physical Chemistry A, Vol. 115, No. 45, pp. 12638–12645

Publisher

American Chemical Society (ACS)

Publication Date

November 17, 2011

DOI

10.1021/jp203242m

ISSN

1089-5639