Login / Signup

Fragmentation dynamics of CS2 in collisions with 1.0 keV electrons.

Enliang WangMaomao GongZhenjie ShenXu ShanXueguang RenAlexander DornXiangjun Chen
Published in: The Journal of chemical physics (2018)
The dissociation dynamics of CS2 molecules in collisions with 1.0 keV electrons is studied. We observe a series of two- and three-body fragmentation channels which are identified from the correlation map between fragment ions. For all of the channels, the kinetic energy release (KER) distributions are obtained. The Dalitz plot and Newton diagram are adopted to analyze the fragmentation dynamics of the three-body dissociation channels. For C S 2 3 + and C S 2 4 + , both the concerted and sequential fragmentation mechanisms are observed where the concerted mechanism dominates. For C S 2 5 + , only the concerted mechanism is observed. Two types of Coulomb explosion models considering the molecular vibration are adopted to simulate the experimental KER distributions of the three-body channels. While obvious deviations are observed considering each ion during the whole dissociation process with an integer charge, good agreement can be achieved within deviation less than 5% if the charge state of the ions are adopted from ab initio calculations.
Keyphrases
  • electron transfer
  • quantum dots
  • monte carlo
  • high frequency
  • molecular dynamics
  • density functional theory
  • solar cells
  • high density