Non-nuclear attractor of electron density as a manifestation of the solvated electron

J Chem Phys. 2007 Aug 14;127(6):064108. doi: 10.1063/1.2747250.

Abstract

Two or more polar molecules can trap an excess electron either in a dipole-bound fashion where it is located outside of the cluster (dipole-bound electron) or inside the cluster (solvated electron). The topology of the electron density in dipole-bound and solvated-electron clusters has been examined for the paradigm (HF)3- cluster. As spatial confinement of the excess electron increases, a non-nuclear maximum (or attractor) of the electron density eventually forms, which suggests that the solvated electron can be described as a topological atom with its own set of physicochemical properties.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Anions
  • Chemistry, Physical / methods*
  • Electrons
  • Hydrofluoric Acid / chemistry
  • Hydrogen / chemistry
  • Hydrogen Bonding
  • Kinetics
  • Molecular Conformation
  • Quantum Theory
  • Software
  • Solvents

Substances

  • Anions
  • Solvents
  • Hydrogen
  • Hydrofluoric Acid