The Electrodonating and Electroaccepting Powers in Atoms
DOI:
https://doi.org/10.29356/jmcs.v56i3.293Keywords:
Chemical Reactivity Theory, Conceptual DFT, Electrophilicity, Electroaccepting Power, Electrodonating Power, Periodic Behavior, Neutral AtomsAbstract
The derivations that lead to the introduction of the electrophilicity and of the electrodonating and electroaccepting powers are revisited. Special emphasis is given to the role played by the chemical potential of the bath in the definition of these global reactivity indexes. An alternative explanation to the increase of the energy when the system donates electrons is provided. It is also shown that the 2-parabolas model correctly predicts that there is no electron flow when the chemical potential of the bath, μ, is in the interval μ- < μ < μ+, in almost complete consonance with the ensemble theorem at 0 K. The electrodonating and electroaccepting powers of neutral atoms in the Periodic Table are evaluated and used to explain how the values of these indexes will distribute in the electrodonating-electroaccepting powers plane.Downloads
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Published
2017-10-12
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