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Chen T, Gatchell M, Stockett MH, et al. Absolute fragmentation cross sections in atom-molecule collisions: scaling laws for non-statistical fragmentation of polycyclic aromatic hydrocarbon molecules. J Chem Phys. 2014;140(22):224306doi: 10.1063/1.4881603.
Chen, T., Gatchell, M., Stockett, M. H., Alexander, J. D., Zhang, Y., Rousseau, P., Domaracka, A., Maclot, S., Delaunay, R., Adoui, L., Huber, B. A., Schlathölter, T., Schmidt, H. T., Cederquist, H., & Zettergren, H. (2014). Absolute fragmentation cross sections in atom-molecule collisions: scaling laws for non-statistical fragmentation of polycyclic aromatic hydrocarbon molecules. The Journal of chemical physics, 140(22), 224306. https://doi.org/10.1063/1.4881603
Chen, T, et al. "Absolute fragmentation cross sections in atom-molecule collisions: scaling laws for non-statistical fragmentation of polycyclic aromatic hydrocarbon molecules." The Journal of chemical physics vol. 140,22 (2014): 224306. doi: https://doi.org/10.1063/1.4881603
Chen T, Gatchell M, Stockett MH, Alexander JD, Zhang Y, Rousseau P, Domaracka A, Maclot S, Delaunay R, Adoui L, Huber BA, Schlathölter T, Schmidt HT, Cederquist H, Zettergren H. Absolute fragmentation cross sections in atom-molecule collisions: scaling laws for non-statistical fragmentation of polycyclic aromatic hydrocarbon molecules. J Chem Phys. 2014 Jun 14;140(22):224306. doi: 10.1063/1.4881603. PMID: 24929387.
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J Chem Phys. 2014 Jun 14;140(22):224306. doi: 10.1063/1.4881603.

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

The Journal of chemical physics

T Chen, M Gatchell, M H Stockett, J D Alexander, Y Zhang, P Rousseau, A Domaracka, S Maclot, R Delaunay, L Adoui, B A Huber, T Schlathölter, H T Schmidt, H Cederquist, H Zettergren

Affiliations

  1. Department of Physics, Stockholm University, S-106 91 Stockholm, Sweden.
  2. Department of Mathematics, Faculty of Physics, M. V. Lomonosov Moscow State University, Leninskie Gory, 119991 Moscow, Russia.
  3. CIMAP, UMR 6252, CEA/CNRS/ENSICAEN/Université de Caen Basse-Normandie, bd Henri Becquerel, BP 5133, F-14070 Caen Cedex 05, France.
  4. Zernike Institute for Advanced Materials, University of Groningen, Nijenborgh 4, 9747AG Groningen, The Netherlands.

PMID: 24929387 DOI: 10.1063/1.4881603

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.

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