Electron-induced hydrogen loss in uracil in a water cluster environment
Data(s) |
2014
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Resumo |
<p>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. </p> |
Formato |
application/pdf |
Identificador | |
Idioma(s) |
eng |
Direitos |
info:eu-repo/semantics/openAccess |
Fonte |
Smyth , M , Kohanoff , J & Fabrikant , I I 2014 , ' Electron-induced hydrogen loss in uracil in a water cluster environment ' Journal of Chemical Physics , vol 140 , no. 18 , 184313 . DOI: 10.1063/1.4874841 |
Palavras-Chave | #REDUCTIVE DNA-DAMAGE #LOW-ENERGY ELECTRONS #MOLECULE COLLISIONS #POLAR-MOLECULES #CROSS-SECTIONS #STRAND BREAKS #SOLID KR #ATTACHMENT #SCATTERING #RESONANCE |
Tipo |
article |