Investigation of relationship with electron configuration of chemical hardness, absolute electronegativity and electrophilicity
محورهای موضوعی : Journal of Physical & Theoretical Chemistry
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کلید واژه: chemical hardness, Absolute Electronegativity, Electrophilicity, Electron Configuration,
چکیده مقاله :
Chemical hardness (), absolute electronegativity (), and electrophilicity () have importantapplications in inorganic chemistry. These concepts are defined quantitatively as � � �� � ����,� � �� � ����, � � ������Where I is the ionization energy and A is the electron affinity. In thisstudy, graphical method was used to see the relation of electron configuration with chemicalhardness, absolute electronegativity and electrophilicity. For this purpose, sequential ionization ofatoms were considered. In this method, chemical hardness, absolute electronegativity, electrophilicityand effective nuclear charge (Z*) were calculated for all ions formed with sequential ionization of anatom and chemical hardness, absolute electronegativity and electrophilicity with respect to effectivenuclear charge were illustrated in the graphs. Besides, the same charged ions were considered inorder to see more clearly relationship with electron configuration of these three features becausecharge is effective on chemical hardness, absolute electronegativity and electrophilicity. Likewise,chemical hardness, absolute electronegativity and electrophilicity values were calculated and graphsof these three features were plotted with respect to atomic number (Z). As to conclude, it was proventhat chemical hardness, absolute electronegativity and electrophilicity increase in some specificelectron configurations and this means that configuration effect is a more effective factor than radiusand charge.
