Non-nuclear attractor of electron density as a manifestation of the solvated electron
Authors: Qadir K Timerghazin
Affiliations
1 Centre for Research in Molecular Modeling, Concordia University, Montréal, Québec H4B 1R6, Canada.
Description
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...
Links
PubMed: https://pubmed.ncbi.nlm.nih.gov/17705589/
DOI: 10.1063/1.2747250