Characterization of Cyclic N-Acyliminium Ions by Infrared Ion Spectroscopy

Jona Merx, Kas Houthuijs, Hidde Elferink, Eva Witlox, Jasmin Mecinović, Jos Oomens, Jonathan Martens, Thomas Boltje*, Floris P J T Rutjes*

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

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N- Acyliminium ions are highly reactive intermediates that are important for creating CC-bonds adjacent to nitrogen atoms. Here we report the characterization of cyclic N -acyliminium ions in the gas phase, generated by collision induced dissociation tandem mass spectrometry followed by infrared ion spectroscopy using the FELIX infrared free electron laser. Comparison of the DFT calculated spectra with the experimentally observed IR spectra provided valuable insights in the conformations of the N -acyliminium ions.

Original languageEnglish
Article numbere202104078
JournalChemistry - A European Journal
Issue number9
Publication statusPublished - 16. Feb 2022


  • DFT calculations
  • N-acyliminium ion
  • heterocycles
  • ion spectroscopy
  • stereoselectivity
  • Tandem Mass Spectrometry
  • Molecular Conformation
  • Spectrophotometry, Infrared/methods
  • Nitrogen
  • Ions/chemistry


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