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

Abstract

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