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Absolute fragmentation cross sections in atom-molecule collisions
- Source :
- The Journal of Chemical Physics, 140(22):224306. AMER INST PHYSICS, Journal of Chemical Physics, Journal of Chemical Physics, American Institute of Physics, 2014, 140 (22), pp.224306. ⟨10.1063/1.4881603⟩, Journal of Chemical Physics, 2014, 140 (22), pp.224306. ⟨10.1063/1.4881603⟩
- Publication Year :
- 2014
- Publisher :
- AMER INST PHYSICS, 2014.
-
Abstract
- International audience; 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.
- Subjects :
- chemistry.chemical_classification
INFRARED-SPECTRA
IONS
Anthracene
FULLERENES
Hydrogen bond
[PHYS.PHYS.PHYS-ATM-PH]Physics [physics]/Physics [physics]/Atomic and Molecular Clusters [physics.atm-clus]
General Physics and Astronomy
Polycyclic aromatic hydrocarbon
Molecular physics
ANTHRACENE
Dissociation (chemistry)
Ion
THERMOCHEMISTRY
chemistry.chemical_compound
chemistry
Fragmentation (mass spectrometry)
GAS
DENSITY
Atom
Molecule
[PHYS.PHYS.PHYS-CHEM-PH]Physics [physics]/Physics [physics]/Chemical Physics [physics.chem-ph]
Physical and Theoretical Chemistry
Atomic physics
C-60
Subjects
Details
- Language :
- English
- ISSN :
- 00219606 and 10897690
- Volume :
- 140
- Issue :
- 22
- Database :
- OpenAIRE
- Journal :
- Journal of Chemical Physics
- Accession number :
- edsair.doi.dedup.....d1762221c72f0e0d60cf35e91e661d76