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