The pure rotational spectrum of sulfur trioxide has been observed for the first time. A total of 25 high-J transitions could be assigned. The rotational constants, two quartic centrifugal distortion constants, and three sextic centrifugal distortion constants were determined as: B= 10 449.0667(23) MHz, C = 5216.0330(12) MHz, DJ = 9.2651 (18) kHz, DJK = -16.3922(18) kHz, HJ, = -8.8(34) • 10-3 Hz, HJK= -15.8(73) • 10-3 Hz, and HKJ = 34.2(73) • 10-3 Hz. An r0- and an re -structure are presented: r0= 1.4198(7) Å (calculated from B), r0 = 1.4210(7) Å (calculated from C), and re = 1.4175 Å
The microwave spectra of CD3 —S —S —CD3 and CH3 —S —S—CH3 have been measured in the frequency range from 5.5 to 34 kmc/sec. From the six rotational constants an r0-structure has been calculated. STARK-effect measurements have been made for the 101 —110 and 202—211 rotational transitions of CH3—S—S—CH3. The dipole moment was calculated to be (1.985±0.01) Debye. An approximate value for the barrier to internal rotation of the two methyl tops is given, V3= (1.6±0.1) kcal. The calculation has been based on triplet splittings of the rotational lines using second order perturbation theory in the torsional wavefunctions and neglecting first order and cross terms in angular momentum.
The rotational Zeeman effect in fluorobenzene is reinvestigated with a resolution improved by a factor of almost five to give more accurate g-tensor elements, magnetic susceptibility anisotropics and molecular electric quadrupole moments. The results fit into the pictures of a linear dependence of the out of plane molecular electric quadrupole moment, Qcc, on the number of fluorine substituents and of a linear correlation between the nonlocal (ring current) susceptibility, Χccnonlocal, and the CNDO/2-π-electron density alternation. They lead to a gasphase molecular electric quadrupole moment in benzene, Qcc,benzene = - (28.4 ± 4.7) · 10-40 Cm2 which is slightly less negative than the value deduced from electric field-gradient birefringence experiments on dilute benzene solutions with carbon tetrachloride as solvent. A detailed description of the high resolution microwave spectrometer is given in the appendix.
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