An isolated example: The first π-delocalized azepinium ions 2 were generated from 2H-azepines 1 and fully characterized by NMR spectroscopy. The stability of the ions was investigated by ab initio calculations. Reaction with nucleophiles led to further support of the characterization of the ions by the selective formation of 2-substituted 2H-azepines.
- Ab initio calculations
ASJC Scopus subject areas