Absolute fragmentation cross sections in atom-molecule collisions: Scaling laws for non-statistical fragmentation of polycyclic aromatic hydrocarbon molecules

Abstract : We present scaling laws for absolute cross sections for non-statistical fragmentation in collisions between Polycyclic Aromatic Hydrocarbons (PAH/PAH(+)) and hydrogen or helium atoms with kinetic energies ranging from 50 eV to 10 keV. Further, we calculate the total fragmentation cross sections (including statistical fragmentation) for 110 eV PAH/PAH(+) + He collisions, and show that they compare well with experimental results. We demonstrate that non-statistical fragmentation becomes dominant for large PAHs and that it yields highly reactive fragments forming strong covalent bonds with atoms (H and N) and molecules (C6H5). Thus nonstatistical fragmentation may be an effective initial step in the formation of, e. g., Polycyclic Aromatic Nitrogen Heterocycles (PANHs). This relates to recent discussions on the evolution of PAHNs in space and the reactivities of defect graphene structures.
Complete list of metadatas

https://hal.archives-ouvertes.fr/hal-01215242
Contributor : Patrick Rousseau <>
Submitted on : Tuesday, October 13, 2015 - 5:29:38 PM
Last modification on : Wednesday, September 4, 2019 - 5:36:03 PM

Links full text

Identifiers

Citation

T. Chen, M. Gatchell, M. H. Stockett, J. D. Alexander, Y. Zhang, et al.. Absolute fragmentation cross sections in atom-molecule collisions: Scaling laws for non-statistical fragmentation of polycyclic aromatic hydrocarbon molecules. Journal of Chemical Physics, American Institute of Physics, 2014, 140 (22), pp.224306. ⟨10.1063/1.4881603⟩. ⟨hal-01215242⟩

Share

Metrics

Record views

384