Electronic Spectroscopy of Protonated 1-Aminopyrene in a Cold Ion Trap

Jennifer Anna Noble, Claude Dedonder-Lardeux, Joëlle Mascetti, Christophe Jouvet

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7 Scopus citations


In aromatic systems that contain an amino group, there is competition between protonation on a carbon atom of the skeleton and protonation on the amino group. Herein, we studied the photofragmentation of protonated 1-aminopyrene in a cold ion trap and mainly observed the protonated amino tautomer, which led to fragmentation pathways through the loss of H or NH3 groups. Several excited states were assigned, among which the fourth excited state showed broadened bands, thus indicating a fast decay that was attributed to the presence of a πσ* charge-transfer state by comparison of the experimental results with ab initio calculations. We deduced the πσ* transition energies in protonated aromatic amino compounds of increasing size directly from the ionization potentials of the neutral aromatic unsubstituted molecules. Tautomers that were protonated on a carbon atom of the pyrene skeleton were also weakly observed, and we showed that two tautomers that were protonated on a carbon atom of the aromatic ring could be distinguished by using electronic spectroscopy.

Original languageEnglish
Pages (from-to)1523-1531
Number of pages9
JournalChemistry - An Asian Journal
Issue number13
StatePublished - Jul 4 2017
Externally publishedYes


  • ab initio calculations
  • electronic spectroscopy
  • ion trap
  • nitrogen heterocycles
  • protonation


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