Electron-induced hydrogen loss in uracil in a water cluster environment.
Low-energy electron-impact hydrogen loss due to dissociative electron attachment (DEA) to the uracil and thymine molecules in a water cluster environment is investigated theoretically. Only the A(')-resonance contribution, describing the near-threshold behavior of DEA, is incorporated. Calculations are based on the nonlocal complex potential theory and the multiple scattering theory, and are performed for a model target with basic properties of uracil and thymine, surrounded by five water molecules. The DEA cross section is strongly enhanced when the attaching molecule is embedded in a water cluster. This growth is due to two effects: the increase of the resonance lifetime and the negative shift in the resonance position due to interaction of the intermediate negative ion with the surrounding water molecules. A similar effect was earlier found in DEA to chlorofluorocarbons.
Atomistic Simulation Centre, Queen's University Belfast, Belfast BT7 1NN, Northern Ireland.
M
M
Smyth
Atomistic Simulation Centre, Queen's University Belfast, Belfast BT7 1NN, Northern Ireland.
J
J
Kohanoff
Department of Physics and Astronomy, University of Nebraska, Lincoln, Nebraska 68588, USA and Department of Physical Sciences, The Open University, Walton Hall, Milton Keynes MK7 6AA, United Kingdom.
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Fabrikant
D003198:Computer Simulation; D004247:DNA / Q000737:chemistry* / Q000528:radiation effects; D004583:Electrons; D006859:Hydrogen / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation / Q000528:radiation effects; D014498:Uracil / Q000737:chemistry* / Q000528:radiation effects; D014867:Water / Q000737:chemistry*
D014867:Water; D014498:Uracil; D006859:Hydrogen; D004247:DNA