Rotational Spectra of Substituted Diazirines. I. Dimethyldiazirine

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Abstract
Ground‐state rotational spectra of (CH3)2CN2 and (CD3)2CN2 have been assigned, and the derived structural parameters are: r(NN) = 1.235 ± 0.005 Å, r(CC) = 1.499 ± 0.01 Å, r(CN) = 1.490 ± 0.01 Å, ∢C–C–C = 119.7 ± 0.5° . The internal rotation splittings for (CH3)2CN2 yield a barrier to internal rotation of 1129 ± 20 cal mole−1 and an angle of 120.4 ± 0.4° between the top axes. For (CH3)2CN2 the quadrupole coupling constants (MHz) are χaa = −0.94 ± 0.8, χbb = 3.20 ± 0.4 , and χcc = −2.27 ± 0.4 , while for (CD3)2CN2 χaa = −1.21 ± 0.8, χbb = 3.44 ± 0.4 , and χcc = −2.23 ± 0.4 . Analysis of the Stark effect gave a dipole moment of 2.19 ± 0.07 D.