It has long been known that electrons can be bound by either the dipole or quadrupole moment of a molecule. Of course, in real molecular situations there are always other attractive and repulsive forces present as well. Previous workers have used model systems to demonstrate that for sufficiently large moments, an electron can be bound to the permanent moments. The present work investigates temporary anions, sometimes called shape resonances, in which the electron is temporarily bound to the permanent moment. Typically in shape resonances the electron is pictured as trapped in the attractive region of the potential by an angular momentum barrier. Thus, the resonance parameters can be strongly dependent on the nodal characteristics of the wave function. The electron attraction to the moment is damped at short-range and a short-range repulsive potential is also added to make model more realistic. The energy and the lifetime of the anion state are investigated as a function of the model parameters.

Computational modeling of temporary anion states in the field of dipole or quadrupole moment

249th National Meeting (2015)

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.