1. Characterization of Cyclic N-Acyliminium Ions by Infrared Ion Spectroscopy
- Author
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Jona Merx, Kas J. Houthuijs, Hidde Elferink, Eva Witlox, Jasmin Mecinović, Jos Oomens, Jonathan Martens, Thomas J. Boltje, and Floris P. J. T. Rutjes
- Subjects
Ions ,FELIX Molecular Structure and Dynamics ,heterocycles ,Spectrophotometry, Infrared ,N-acyliminium ion ,Nitrogen ,010405 organic chemistry ,Organic Chemistry ,Spectrophotometry, Infrared/methods ,Molecular Conformation ,Synthetic Organic Chemistry ,General Chemistry ,DFT calculations ,stereoselectivity ,010402 general chemistry ,01 natural sciences ,Catalysis ,3. Good health ,0104 chemical sciences ,ion spectroscopy ,Tandem Mass Spectrometry ,Ions/chemistry - Abstract
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.
- Published
- 2022
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