Abstract
Abstract The photoelectron spectra of N -vinyllactams 4–6 have been obtained. Based on band shape analyses and AM1 calculations the ionization potentials are assigned to molecular orbitals. The sequence of the three highest occupied MOs was found to be: π 3 (HOMO), n O , π 2 . The MOs π 3 and π 2 are essentially linear combinations of π N and π CC . Some conformational properties of N -vinyllactams have been studied by AM1 calculations on N -methyl- N -vinylacetamide ( 1 ) as a model compound for torsions of the vinyl and the acetyl group. Planar forms (ap and sp) were found as stable conformers. For 3–6 AM1 calculations also revealed essentially planar vinyllactam units, while the α-lactam derivative 2 has a pyramidal nitrogen atom.
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