Published May 14, 2014 | Version v1
Journal article

Electron-induced hydrogen loss in uracil in a water cluster environment

  • 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

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

Optional Information

Notes
(c) 2014 AIP Publishing LLC