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Title: Collision dynamics of proton with formaldehyde: Fragmentation and ionization

Using time-dependent density functional theory, applied to the valence electrons and coupled non-adiabatically to molecular dynamics of the ions, we study the ionization and fragmentation of formaldehyde in collision with a proton. Four different impact energies: 35 eV, 85 eV, 135 eV, and 300 eV are chosen in order to study the energy effect in the low energy region, and ten different incident orientations at 85 eV are considered for investigating the steric effect. Fragmentation ratios, single, double, and total electron ionization cross sections are calculated. For large impact parameters, these results are close to zero irrespective of the incident orientations due to a weak projectile-target interaction. For small impact parameters, the results strongly depend on the collision energy and orientation. We also give the kinetic energy releases and scattering angles of protons, as well as the cross section of different ion fragments and the corresponding reaction channels.
Authors:
;  [1] ;  [2] ;  [3] ;  [1] ;  [2] ;  [2]
  1. The Key Laboratory of Beam Technology and Material Modification of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing 100875 (China)
  2. (China)
  3. Institut des Molecules et Matériaux du Mans UMR 6283, Université du Maine, LUNAM 72085 Le Mans Cedex 9 (France)
Publication Date:
OSTI Identifier:
22253400
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 140; Journal Issue: 12; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; COLLISIONS; CROSS SECTIONS; DENSITY FUNCTIONAL METHOD; EV RANGE; FORMALDEHYDE; FRAGMENTATION; IMPACT PARAMETER; INTERACTIONS; IONIZATION; KINETIC ENERGY; MOLECULAR DYNAMICS METHOD; PROTONS; SCATTERING