Near edge X-ray absorption mass spectrometry on coronene

G. Reitsma*, L. Boschman, M. J. Deuzeman, S. Hoekstra, R. Hoekstra, T. Schlatholter

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

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Abstract

We have investigated the photoionization and photodissociation of free coronene cations C24H12+ upon soft X-ray photoabsorption in the carbon K-edge region by means of a time-of-flight mass spectrometry approach. Core excitation into an unoccupied molecular orbital (below threshold) and core ionization into the continuum both leave a C 1s vacancy, that is subsequently filled in an Auger-type process. The resulting coronene dications and trications are internally excited and cool down predominantly by means of hydrogen emission. Density functional theory was employed to determine the dissociation energies for subsequent neutral hydrogen loss. A statistical cascade model incorporating these dissociation energies agrees well with the experimentally observed dehydrogenation. For double ionization, i.e., formation of intermediate C24H123+star trications, the experimental data hint at loss of H+ ions. This asymmetric fission channel is associated with hot intermediates, whereas colder intermediates predominantly decay via neutral H loss. (C) 2015 IP Publishing LLC.

Original languageEnglish
Article number024308
Number of pages9
JournalJournal of Chemical Physics
Volume142
Issue number2
DOIs
Publication statusPublished - 14-Jan-2015

Keywords

  • POLYCYCLIC AROMATIC-HYDROCARBONS
  • ASTROPHYSICAL IMPLICATIONS
  • NAPHTHALENE
  • PHOTOIONIZATION
  • DISSOCIATION
  • BENZENE
  • SPECTRA
  • DENSITY
  • SPECTROSCOPY
  • CATIONS

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