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

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.