Electron-induced hydrogen loss in uracil in a water cluster environment
Creators
- 1. Atomistic Simulation Centre, Queen's University Belfast, Belfast BT7 1NN, Northern Ireland (United Kingdom)
- 2. 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)
Description
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
Additional details
Identifiers
- DOI
- 10.1063/1.4874841;
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 140
- Journal Issue
- 18
- Journal Page Range
- p. 184313-184313.7
- ISSN
- 0021-9606
- CODEN
- JCPSA6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 45074056
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- CHLOROFLUOROCARBONS; CROSS SECTIONS; ELECTRON ATTACHMENT; ELECTRONS; HYDROGEN; INTERACTIONS; MOLECULES; MULTIPLE SCATTERING; THYMINE; WATER
- Descriptors DEC
- AZINES; ELEMENTARY PARTICLES; ELEMENTS; FERMIONS; HETEROCYCLIC COMPOUNDS; HYDROGEN COMPOUNDS; HYDROXY COMPOUNDS; LEPTONS; NONMETALS; ORGANIC CHLORINE COMPOUNDS; ORGANIC COMPOUNDS; ORGANIC FLUORINE COMPOUNDS; ORGANIC HALOGEN COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; OXYGEN COMPOUNDS; PYRIMIDINES; SCATTERING; URACILS
Optional Information
- Notes
- (c) 2014 AIP Publishing LLC