• Title of article

    On the variations of electronic chemical potential and chemical hardness induced by solvent effects

  • Author/Authors

    Meneses، نويسنده , , L. and Fuentealba، نويسنده , , P. and Contreras، نويسنده , , R.، نويسنده ,

  • Issue Information
    روزنامه با شماره پیاپی سال 2006
  • Pages
    4
  • From page
    54
  • To page
    57
  • Abstract
    The effects that a polarizable medium exerts on the electronic chemical potential and the chemical hardness of neutral and charged molecules are discussed in detail, using the continuum approach based on the polarizable charge model. The variations in electronic chemical potential result from charge transfer between the solute and the solvent, a result which is confirmed by supermolecule calculations. Both models predict that chemical hardness diminishes in solution phase due to the decrease in electrostatic potential that result from the increase of the effective radii of neutral and charged solutes.
  • Journal title
    Chemical Physics Letters
  • Serial Year
    2006
  • Journal title
    Chemical Physics Letters
  • Record number

    1920931