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


Autoria(s): Smyth, M.; Kohanoff, J.; Fabrikant, I. I.
Data(s)

2014

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

http://pure.qub.ac.uk/portal/en/publications/electroninduced-hydrogen-loss-in-uracil-in-a-water-cluster-environment(f5fbe35d-10b0-4f20-affb-4852a8916b0b).html

http://dx.doi.org/10.1063/1.4874841

http://pure.qub.ac.uk/ws/files/11226284/Electron_induced_hydrogen_loss_in_uracil_in_a_water_cluster_environment.pdf

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