Trapping excess electrons in charge pockets on molecular surfaces in an argon matrix

Abstract

AbstractRecently, we have proposed a series of hydrocarbon molecular surfaces (A.F. Jalbout, L. Adamowicz, Mol Phys 2006, 19, 3101), which had a hydrogen bonded network of OH groups on one side of the surface and hydrogen atoms on the opposite side. The addition of these OH groups increases the dipole moment of the system allowing for excess electrons to attach to the surface in dipole‐bound (DB) anion states. We have used this principle to study the interaction of the DB anions formed from the surfaces and an argon atom. The resulting anions are shown to be stable with respect to electron detachment. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2008