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

M. Smyth*, J. Kohanoff, I. I. Fabrikant

*Corresponding author for this work

Research output: Contribution to journalArticle

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Abstract

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. 

Original languageEnglish
Article number184313
Number of pages7
JournalJournal of Chemical Physics
Volume140
Issue number18
Early online date12 May 2014
DOIs
Publication statusPublished - 2014

Keywords

  • REDUCTIVE DNA-DAMAGE
  • LOW-ENERGY ELECTRONS
  • MOLECULE COLLISIONS
  • POLAR-MOLECULES
  • CROSS-SECTIONS
  • STRAND BREAKS
  • SOLID KR
  • ATTACHMENT
  • SCATTERING
  • RESONANCE

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