Computation of the internuclear distances of some heteronuclear diatomic molecules in terms of the revised electronegativity scale of Gordy

摘要

We have calculated the electronegativity of the atoms of 103 elements relying upon the basic approach of Gordy but carefully allaying the dimensional mismatch seemingly prevalent in all previous calculations. In absence of any theoretical or experimental benchmark to perform the validity test of any scale of electronegativity, we have resorted to the method of linking the electronegativity scale with the physical descriptors that occur in the real world and can be conceived in terms of electronegativity. The equilibrium internuclear bond distances of heteronuclear diatomic molecules are experimentally determined physical constants. Such descriptor like the equilibrium bond distance can easily be linked with electronegativity and the physical process of electronegativity equalization. The mathematical formula is derived to calculate theoretically such bond distances using the scale of electronegativity. In this report we have calculated the equilibrium bond lengths of as many as eleven sets of heteronuclear diatomic molecules of widely diverse nature using our scale of electronegativity and absolute radii evaluated by us. When the theoretically evaluated bond lengths are compared with their experimental counterparts, an excellent correlation between the two sets of data is evident. It therefore transpires that our scale of electronegativity is a good descriptor of charge rearrangement on molecule formation.