Copy the page URI to the clipboard
Gallup, Gordon A. and Fabrikant, Ilya I.
(2011).
DOI: https://doi.org/10.1103/PhysRevA.83.012706
Abstract
Low-energy dissociative electron attachment to uracil molecules in the gas phase is partly controlled by interaction between the lowest σ* resonance with a dipole-supported anion state. We calculate this contribution using a combination of the finite element discrete model with the resonance R-matrix theory. Deuterated uracil is investigated, also, and a strong isotope effect is found. The results agree qualitatively and semiquantitatively with experimental data, but for a complete description of the process the interaction between a second N—H bond σ* resonance in the molecule and the second π* resonance should be included.