Journal of the American Chemical Society · 2007 · 73 citations · 28 references
Natural SciencesChemistryPhysicsComputational ChemistryPhysical ChemistryQuantum ChemistryAb Initio MethodsMolecular DynamicsMolecular Orbital TheoryBond BreakingBond Formation MechanismsElectron AttachmentElectron Attachment ProcessesGas-phase ReactionsGaseous StateNormal ModesSelective Bond Cleavage
Electron attachment experiments are carried out on the beta-d-ribose molecule in the gas phase for the energy region around 8 eV, and clear fragmentation products are observed for different mass values. A computational analysis of the relevant dynamics is also carried out for the beta-d-ribose in both the furanosic and pyranosic form as gaseous targets around that energy range. The quantum scattering attributes obtained from the calculations reveal in both systems the presence of transient negative ions (TNIs). An analysis of the spatial features of the excess resonant electron, together with the computation and characterization of the target molecular normal modes, suggests possible break-up pathways of the initial, metastable molecular species.
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Low energy electron-driven damage in biomolecules
Léon Sanche · The European Physical Journal D · 2005 · 558 citations