Binding of an Electron by a Finite Fixed Dipole

J Phys Chem Lett. 2022 Nov 10;13(44):10331-10334. doi: 10.1021/acs.jpclett.2c02785. Epub 2022 Oct 31.

Abstract

In this work, it is demonstrated that a simple analytical expression, (A/R2) exp(-B/μ-μcr), where μ is the dipole moment, μcr is the critical dipole moment, and A and B are constants, accurately describes the binding energy of an electron in the field of a finite fixed dipole over a wide range of dipole moments. It is also demonstrated that this expression provides an accurate fit to the experimental electron binding energies for the dipole-bound anions of a series of phenoxy radicals. A simple extension of this expression is found to be applicable when the dipole model is extended to include short-range repulsion and polarization interactions.