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Journal of the Mexican Chemical Society

versión impresa ISSN 1870-249X


OROZCO-VALENCIA, Ángel Ulises  y  VELA, Alberto. The Electrodonating and Electroaccepting Powers in Atoms. J. Mex. Chem. Soc [online]. 2012, vol.56, n.3, pp.294-301. ISSN 1870-249X.

The derivations that lead to the introduction of the electro-philicity 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.

Palabras llave : Chemical Reactivity Theory; Conceptual DFT; Electro-philicity; Electroaccepting Power; Electrodonating Power; Periodic Behavior; Neutral Atoms.

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