Investigation of relationship with electron configuration of chemical hardness, absolute electronegativity and electrophilicity

Chemical hardness (n), absolute electronegativity (x), and electrophilicity (a) have important applications in inorganic chemistry. These concepts are defined quantitatively as n=(I-A)/2,x=(I+A)/2,w=x2/2n. Where I is the ionization energy and A is the electron affinity. In this study, graphical method was used to see the relation of electron configuration with chemical hardness, absolute electronegativity and electrophilicity. For this purpose, sequential ionization of atoms were considered. In this method, chemical hardness, absolute electronegativity, electrophilicity and effective nuclear charge (Z*) were calculated for all ions formed with sequential ionization of an atom and chemical hardness, absolute electronegativity and electrophilicity with respect to effective nuclear charge were illustrated in the graphs. Besides, the same charged ions were considered in order to see more clearly relationship with electron configuration of these three features because charge is effective on chemical hardness, absolute electronegativity and electrophilicity. Likewise, chemical hardness, absolute electronegativity and electrophilicity values were calculated and graphs of these three features were plotted with respect to atomic number (Z). As to conclude, it was proven that chemical hardness, absolute electronegativity and electrophilicity increase in some specific electron configurations and this means that configuration effect is a more effective factor than radius and charge.