Power law relationships between bond length, bond strength and electron density distributions |
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Authors: | G V Gibbs F C Hill M B Boisen R T Downs |
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Institution: | (1) Department of Geological Sciences and Materials Sciences and Engineering and Mathematics, Virginia Tech, Blacksburg, VA 24601, USA, Fax: +1 703 231 3386, e-mail: boisen@vt.edu, US;(2) Department of Geological Sciences, University of Arizona, Tucson, AZ 85721, USA, US |
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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.
Received: 20 August 1997 / Revised, accepted: 3 November 1997 |
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