Abstract
The empirical bond strength of the SiO bond correlates with the value of the electron density at the bond critical point calculated for a large number of silicates and observed for the silica polymorphs stishovite and coesite. The greater the bond strength, the greater the localization of the electron density at the critical point, the shorter the bond, and the greater the covalent character of the bonded interaction. Bond strength and resonance bond number are considered to represent similar properties of the electronic structure of the bond.
Keywords
Sextuple bondCovalent bondBent bondBond strengthStishoviteBondBond orderBond energyElectron densitySingle bondMaterials scienceCritical point (mathematics)CoesiteChemical bondBond lengthElectronChemical physicsChemistryCrystallographyNanotechnologyMoleculeComposite materialPhysicsOrganic chemistryCrystal structureQuantum mechanics
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Publication Info
- Year
- 2004
- Type
- article
- Volume
- 108
- Issue
- 38
- Pages
- 7643-7645
- Citations
- 46
- Access
- Closed
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Cite This
G. V. Gibbs,
David F. Cox,
K. M. Rosso
(2004).
A Connection between Empirical Bond Strength and the Localization of the Electron Density at the Bond Critical Points of the SiO Bonds in Silicates.
The Journal of Physical Chemistry A
, 108
(38)
, 7643-7645.
https://doi.org/10.1021/jp047202s
Identifiers
- DOI
- 10.1021/jp047202s