Electronic Structure and Gas‐Phase Thermolysis of Substituted Tetrazolines Studied by Photoelectron Spectroscopy

The electronic structures and the gas‐phase thermolyses of tetrazolines 1 –5 have been studied by photoelectron spectroscopy. For compounds 1–4 cycloreversion to imine and methyl azide is observed, whereas compound 5 is contracted to give the respective diaziridine. To assign the PE spectra, MNDO calculations were performed for compounds 1, 2, 4, and 5; some conformational properties of 5 have also been studied by AM 1 calculations.