Metastable anion fragmentations after resonant attachment: Deoxyribosic structures from quantum electron dynamics

Abstract

AbstractThis work is focussed on the theoretical investigation of the observed fragmentation after the resonant electron attachment to gas‐phase β‐D‐deoxyribose. The collision energy of the incident electron is kept below 20 eV and both the furanosic and the pyranosic forms of the gaseous target are analyzed. All the transient negative ions associated to shape resonances are characterized in their energetics and spatial features, all pointing to highly selective bond‐breaking resonant processes. The present results, when compared with the available experiments on gas‐phase β‐D‐deoxyribose and with the findings on the analogous conformers from the previously studied β‐D‐ribose, offer new insights into the manifold fragmentation pathways occurring in biomolecules after electron attachment. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008