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Microwave Spectrum of 3-Methyl-2H-Azirine

M. Sugie, H. Takeo, and C. Matsumura
[J. Mol. Struct., Vol.413-414, pp.387-394, 1997]

The microwave spectrum of 3-methyl-2H-azirine produced by the thermal decomposition of N-chloro-2-methylaziridine was observed. This new unstable molecule was identified based on a comparison of observed molecular constants and those calculated by an ab initio MO calculation. The rotational constants were determined as follows: A=22338.04(4), B=6618.622(9) and C=5464.442(7)MHz. From the analysis of the Stark effect, the dipole moments were derived as mua=1.90(5) and mub=1.86(5)D. The potential barrier to internal rotation of the methyl group was determined to be V3=1315(10)cal mol-1 by the principal axis method.

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