Abstract
The J=1→0 transition frequencies were measured for NCCCD using a beam‐maser spectrometer. Hyperfine structure from 14N and D was completely resolved. Analysis of the data directly gives the 14N and deuterium quadrupole coupling constant along the internuclear axis eqQ(14N)=−4318.0±0.1 kHz, eqQ(D)=203.5±1.5 kHz. From the data the spin‐rotation constant on 14N was also measured: C(14N)=1.1±0.2 kHz. The spin‐rotation data were used to calculate paramagnetic chemical shift tensor components σPxx= σPyy=−593±40 ppm. These experimentally determined tensor components were combined with calculated diamagnetic tensor components to give the isotropic shift σav=18±27 ppm.
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