Power law relationships between bond length, bond strength and electron density distributions

G. V. Gibbs, F. C. Hill, M. B. Boisen, Robert T Downs

Research output: Contribution to journalArticle

64 Citations (Scopus)

Abstract

The strength of a bond, defined as p=s/r, where s is the Pauling bond strength and r is the row number of an M cation bonded to an oxide anion, is related to a build-up of electron density along the MO bonds in a relatively large number of oxide and hydroxyacid molecules, three oxide minerals and three molecular crystals. As p increases, the value of the electron density is observed to increase at the bond critical points with the lengths of the bonds shortening and the electronegativities of the M cations bonded to the oxide anion increasing. The assertion that the covalency of a bond is intrinsically connected to its bond strength is supported by the electron density distribution and its bond critical point properties. A connection also exists between the properties of the electron density distributions and the connectivity of the bond strength network formed by the bonded atoms of a structure.

Original languageEnglish (US)
Pages (from-to)585-590
Number of pages6
JournalPhysics and Chemistry of Minerals
Volume25
Issue number8
DOIs
StatePublished - 1998
Externally publishedYes

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Electronic density of states
Bond length
Oxides
electron density
power law
oxide
Anions
Carrier concentration
Cations
Negative ions
Positive ions
Oxide minerals
Molecular crystals
anion
Electronegativity
cation
connectivity
Atoms
Molecules
crystal

ASJC Scopus subject areas

  • Geochemistry and Petrology
  • Materials Science(all)

Cite this

Power law relationships between bond length, bond strength and electron density distributions. / Gibbs, G. V.; Hill, F. C.; Boisen, M. B.; Downs, Robert T.

In: Physics and Chemistry of Minerals, Vol. 25, No. 8, 1998, p. 585-590.

Research output: Contribution to journalArticle

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