title: Non-nuclear attractor of electron density as a manifestation of the solvated electron.
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.
authors: Centre for Research in Molecular Modeling, Concordia University, Montréal, Québec H4B 1R6, Canada.
authors: Qadir K
authors: QK
authors: Timerghazin
authors: Gilles H
authors: GH
authors: Peslherbe
mesh_terms: D000838:Anions; D002627:Chemistry, Physical / Q000379:methods*; D004583:Electrons; D006858:Hydrofluoric Acid / Q000737:chemistry; D006859:Hydrogen / Q000737:chemistry; D006860:Hydrogen Bonding; D007700:Kinetics; D008968:Molecular Conformation; D011789:Quantum Theory; D012984:Software; D012997:Solvents
chemical_list: D000838:Anions; D012997:Solvents; D006859:Hydrogen; D006858:Hydrofluoric Acid