A NEW METHOD FOR THE CALCULATION OF THE ATOMIC ELECTRONEGATIVITY

According to Mulliken's definition,the atomic electronegativity is closely allied to ionicity.So the electronegativity of an atom in the stable molecule may be considered as the electric poten-tial at the ionic boundary.In other words,the electronegativity of an atom is directly propor-tional to its effective nuclear charge and inversely proportional to its ionic radius.By plottingthis electric potential against Pauling's electronegativity scale,a linear relationship between themis obtained.From this the author proposes the following equations for the calculation of electrone-gativity:X=0.11 (Z~*e~2)/R+0.64 (1)X=0.20 (Z~*e~2)/r+0.44 (2)where X represents the electronegativity;e,the electric charge;Z~*e,the effective nuclear chargecalculated by Slater's rule for the one-electron wave function;R,the ionic radius and r,theunivalent ionic radius.R,the ionic radius and r,the univalent ionic radius.But for the atoms with 1s,2sp orbitals as lithium to fluorine which on their ionization only lsorbital remains,we calculate the electronegativity simply from their effective nuclear charge by thefollowing relationship:X=Z~*/1.3 (3)where the figure 1.3 is the value of the effective nuclear charge of lithium.It is apparent thatthe electronegativity of the atom in this group is the relative effective nuclear charge with respectto that of lithium.By comparison with other authors' data in Table Ⅰ,the results calculated by the above equa-tions are quite satisfactory.