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

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Abstract

Chemical hardness (), absolute electronegativity (), and electrophilicity () have important
applications in inorganic chemistry. These concepts are defined quantitatively as � � �� � ����,
� � �� � ����, � � ������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.

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