A physical basis for Pauling's definition of bond strength |
| |
| Authors: | G V Gibbs K M Rosso D F Cox M B Boisen Jr |
| |
| Institution: | (1) Department of Geological Sciences, Virginia Tech., Blacksburg, Virginia 24061-0420, U.S.A e-mail: ggibbs@vt.edu, US;(2) Pacific North West National Laboratories, Environmental Molecular Sciences Laboratory, Richland, Washington, US;(3) Department of Chemical Engineering, Virginia Tech., Blacksburg, Virginia 24061-0420, U.S.A, US;(4) Department of Mathematics, University of Idaho, Moscow, ID 441103, US |
| |
| Abstract: | The average strength, s, of the bonded interactions comprising a cation containing oxide anion coordination polyhedron and the value of the electron
density, ρ(r
c
), at the bond-critical points are inversely correlated with bond length. In each case, the observed bond lengths, R, were modeled with power-law expressions defined in terms of s/r and ρ(r
c
)/r, respectively, where r is the Periodic Table row number of the cation involved in the bonded interaction. On the basis of the close connection between
bond strength and the value of the electron density at the bond-critical point, we conclude that bond strength is a direct
measure of bond type; the greater its value, the greater the localization of electron density in the binding region and the
greater the shared–electron covalent character of the bonded interaction.
Received: 15 October 2002 / Accepted: 17 February 2003
Present address:G. V. Gibbs in care of M. Spackman Department of Chemistry, University of New England, Armidale 2351, Australia
Acknowledgements The NSF is thanked for supporting this study with grant EAR–9627458. The paper was written while GVG was a Visiting NSF Scholar
at The University of Arizona. The faculty and graduate students of the Department of Geosciences and Bob Downs and Marelina
Stimpf in particular are thanked for making the visit great fun. |
| |
| Keywords: | Bond strength Bond number |
| 本文献已被 SpringerLink 等数据库收录！ |
|
