1,2-Di-tert-butyldiaziridine 1 has been synthesized for the first time
and its H-1 and C-13 NMR spectra studied in comparison with model dia
ziridines 8-10. Its photoelectron and mass spectra have been measured
and its structure optimized by semiempirical and ab initio calculation
s; considerable steric deformation of the CH2 ring fragment and mutual
approach of tert-butyl groups is shown.