Ea. Cohen et al., THE ROTATIONAL SPECTRA, HYPERFINE INTERACTIONS, AND O-17 MAGNETIC SHIELDINGS OF (OOO)-O-17-O-16-O-16, (OOO)-O-16-O-17-O-16, AND (OSO)-O-17-O-16, Journal of molecular structure, 352, 1995, pp. 273-282
Measurement of the rotational spectra of (OOO)-O-17-O-16-O-16 and (OOO
)-O-16-O-17-O-16 have been extended to allow the determination of a co
mplete set of sextic centrifugal distortion constants for both molecul
es. A near degeneracy of the 3(12) and 4(04), levels of (OOO)-O-17-O-1
6-O-16 causes strong perturbations of the hyperfine patterns, gives ri
se to perturbation-allowed Delta J = 2. transitions, and provides an a
ccurate determination of chi(ab). This has allowed the calculation of
the angle between the principal axis of the quadrupole tenser and the
O-O bond. The O-17 spin-rotation interactions of (OSO)-O-17-O-16 have
been measured for comparison with the corresponding values in O-3, and
improved values of the quadrupole coupling have been obtained. Parama
gnetic shielding and chemical shifts for O-17 have been calculated fro
m the spin-rotation constants for both compounds.