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 σ xxp=σyyp=-593±40 ppm. These experimentally determined tensor components were combined with calculated diamagnetic tensor components to give the isotropic shift σav= 18±27 ppm.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry