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Coulomb Explosion Dynamics of Chlorocarbonylsulfenyl Chloride.

Graham A CooperS Tahereh AlaviWen LiSuk Kyoung LeeArthur G Suits
Published in: The journal of physical chemistry. A (2021)
The Coulomb explosion dynamics following strong field ionization of chlorocarbonylsulfenyl chloride was studied using multimass coincidence detection and covariance imaging analysis, supported by density functional theory calculations. These results show evidence of multiple dissociation channels from various charge states. Double ionization to low-lying electronic states leads to a dominant C-S cleavage channel, while higher states can alternatively correlate to the loss of Cl+. Triple ionization leads to a double dissociation channel, the observation of which is confirmed via three-body covariance analysis, while further ionization leads primarily to atomic or diatomic fragments whose relative momenta depend strongly on the starting structure of the molecule.
Keyphrases
  • density functional theory
  • molecular dynamics
  • gas chromatography
  • high resolution
  • molecular dynamics simulations
  • dna binding
  • sensitive detection
  • data analysis
  • solid phase extraction