Interaction of the uracil dipole-bound electron with noble gas atoms

Abstract

Very diffuse, but localized, electrons trapped in dipole—bound states of polar polyatomic molecules may provide excellent targets for testing electron—molecule interactions. Ab initio calculations are used to investigate systems where a dipole—bound electron attached to a uracil molecule is interacting with noble gas atoms (He and Ne) and forming very weakly bound adducts. In these adducts, the noble gas atoms are separated from the uracil molecule by considerable distances, and the excess electron is suspended between the uracil molecule and the noble gas atom. Calculations are performed to determine the vertical electron detachment energies of these systems and to determine what happens when the excess electrons are removed from them.