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Characterization of Cyclic N ‐Acyliminium Ions by Infrared Ion Spectroscopy
Author(s) -
Merx Jona,
Houthuijs Kas J.,
Elferink Hidde,
Witlox Eva,
Mecinović Jasmin,
Oomens Jos,
Martens Jonathan,
Boltje Thomas J.,
Rutjes Floris P. J. T.
Publication year - 2022
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.202104078
Subject(s) - ion , infrared spectroscopy , characterization (materials science) , infrared , spectroscopy , materials science , chemistry , analytical chemistry (journal) , physics , nanotechnology , environmental chemistry , optics , organic chemistry , astronomy
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 DFT calculated spectra with the experimentally observed IR spectra provided valuable insights in the conformations of the N ‐acyliminium ions.