Abstract
We report elastic integral cross sections for low-energy electron scattering by gas-phase dimethyl sulfide and dimethyl disulfide, obtained with the Schwinger multichannel method with pseudopotentials. Our symmetry-resolved cross sections for dimethyl sulfide reveal that the single broad structure at observed in the electron transmission spectrum (assigned as a shape resonance) would actually arise from two superimposed anion states in the and symmetry components of the point group. We also obtained two low-lying shape resonances for dimethyl disulfide, in good agreement with the available electron transmission data. In view of the recently reported measurements on dissociative electron attachment to dimethyl disulfide [C. Matias, A. Mauracher, P. Scheier, P. Limão-Vieira, and S. Denifl, Chem. Phys. Lett. 605-606, 71 (2014)], we also calculated cross sections for stretched S–S bond lengths, which indicate a fast stabilization consistent with the experimental data.
- Received 18 September 2014
DOI:https://doi.org/10.1103/PhysRevA.90.052713
©2014 American Physical Society