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Multiple ionization and fragmentation of isolated pyrene and coronene molecules in collision with ions
81
Citations
41
References
2011
Year
EngineeringChemistryCoronene MoleculesIon ProcessMultiple IonizationIntact MoleculesPah MoleculesMolecular SimulationMolecular KineticsBiophysicsPhysicsPhysical ChemistryQuantum ChemistryMolecular ChemistryIon MobilityIsolated PyreneNatural SciencesEnergy DifferencesChemical KineticsMolecular Fragmentation
The interaction of multiply charged ions (He${}^{2+}$, ${\mathrm{O}}^{3+}$, and Xe${}^{20+}$) with gas-phase pericondensed polycyclic aromatic hydrocarbon (PAH) molecules of coronene (C${}_{24}$H${}_{12}$) and pyrene (C${}_{16}$H${}_{10}$) is studied for low-velocity collisions ($v\ensuremath{\leqslant}0.6$ a.u.). The mass spectrometric analysis shows that singly and up to quadruply charged intact molecules are important reaction products. The relative experimental yields are compared with the results of a simple classical over-the-barrier model. For higher molecular charge states, the experimental yields decrease much more strongly than the model predictions due to the instabilities of the multiply charged PAH molecules. Even-odd oscillations with the number of carbon atoms, $n$, in the intensity distributions of the ${\mathrm{C}}_{n}$H${}_{x}^{+}$ fragments indicate a linear chain structure of the fragments similar to those observed for ion-C${}_{60}$ collisions. The latter oscillations are known to be due to dissociation energy differences between even- and odd-$n$ ${\mathrm{C}}_{n}$-chain molecules. For PAH molecules, the average numbers of H atoms attached to the ${\mathrm{C}}_{n}$H${}_{x}$ chains are larger for even-$n$ reflecting acetylenic bond systems.
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