Abstract
The microwave spectrum of 3-methyl-2H-azirine produced by pyrolyzing N-chloro-2-methylaziridine was observed. This new, unstable molecule was identified based on a comparison of observed molecular constants and those determined by an ab initio MO calculation. The rotational constants are A = 22338.04(4), B = 6618.622(9), and C = 5464.442(7) MHz. The dipole moments obtained are μ a = 1.90(5) and μ b = 1.86(5) D from the analysis of the Stark effect. The potential barrier to internal rotation of the methyl group was determined by the principal axis method (PAM) to be V 3 = 1315(10) cal mol −1.
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