Quantum chemical study of dissociative electron attachment to d-ribose and d-fructose

Abstract

We performed quantum chemistry calculations using long-range corrected density-functional theory to understand the interaction of an excess electron with d-ribose/d-fructose. Previous experimental studies have shown that these sugar molecules undergo dissociative electron attachment to form various fragments upon capture of a nearly zero-energy electron. First, we studied doorway states, including dipole-bound and valence-bound anions in pyranose, furanose, and open-chain structures. Subsequently, we explored the reaction pathways on the anionic potential energy surfaces for selected structures to understand the detailed reaction mechanisms of dissociative electron attachment to these sugar molecules.