Abstract
Abstract The rotation-inversion spectrum of the isotopically substituted species of isocyanamide HDNNC was observed in the region from 100 to 400 GHz. The 173 observed transitions arising from the inversion states 0 + and 0 − were assigned and analyzed using a Watson Hamiltonian ( S reduction). The two Hamiltonians are coupled by an a -type Coriolis resonance (Δ K a = 0) allowed by the C s molecular symmetry of HDNNC. The off-diagonal matrix elements of this resonance, which are proportional to K a with the coefficient R a , were included in the fitting program. The rotational constants found are: 0 + State 0 − State A 196 324.84 (49) MHz 196 301.96 (64) MHz B 10 243.45800 (58) MHz 10 243.29170 (56) MHz C 9 909.53965 (47) MHz 9 909.53972 (44) MHz Centrifugal distortion constants were also determined. The inversion splitting between the 0 + and 0 − states was determined to be E inv = 3521.30(53) MHz and the Coriolis resonance coefficient was found to be R a = 204.12(13) MHz. The nuclear quadrupole hyperfine structure induced by the two nitrogen nuclei was analyzed and the coupling constants were determined. The nuclear quadrupole coupling constants of the normal species, H 2 NNC, were reanalyzed. Improvements in the spectrometer software since the earlier work made it possible to analyze large numbers of rotation-inversion lines exhibiting nuclear quadrupole interactions.
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