Centrifugal Distortion Analysis of a Near-Spherical Top, SO2F2: The First Determination of All Six Quartic Centrifugal Distortion Constants for an Asymmetric Top

Microwave, Submillimeter-Wave, and High-Resolution FTIR Study of SO2F2 in the ν8 State

“…We recently investigated the ground state rotational spectrum by Fourier transform microwave (MW) and by millimeter-wave (MMW) spectroscopies (1). The analysis of the spectra confirmed our theoretical prediction that all six quartic centrifugal distortion constants should be determinable, as the three rotational constants A, B, and C of this molecule have nearly the same values.…”

“…Recently observed MMW lines (14) for higher J, K a values than those reported in Ref. (1) showed that 6-reduction is "clearly superior" to S-reduction in that domain of quantum numbers. However, the FTIR data, which are less precise than the MMW data, could still be fitted with S-reduction even for high J, K a values.…”

“…The values of the principal rotational constants in the ground state have been found to be A 0 ϭ 5134 MHz, B 0 ϭ 5073 MHz, and C 0 ϭ 5057 MHz (1). The asymmetry parameter is not a good indicator in this case because in spite of its value ϭ Ϫ0.589 the A-reduction failed and either S-reduction or 6-reduction, in which all six quartic centrifugal distortion constants are determined in the fit, had to be applied (1).…”

“…The values of the principal rotational constants in the ground state have been found to be A 0 ϭ 5134 MHz, B 0 ϭ 5073 MHz, and C 0 ϭ 5057 MHz (1). The asymmetry parameter is not a good indicator in this case because in spite of its value ϭ Ϫ0.589 the A-reduction failed and either S-reduction or 6-reduction, in which all six quartic centrifugal distortion constants are determined in the fit, had to be applied (1). A further reason for studying the highresolution IR spectra of this molecule is that, in spite of several studies in the past employing low-or mediumresolution IR or Raman spectra (2-7), the symmetry and ordering of its vibrations have not been evaluated with certainty.…”

Spectroscopy of XY2Z2 (C2v) Molecules: A Tensorial Formalism Adapted to the O(3)⊃Td⊃C2v Chain. Application to the Ground State of SO2F2

“…The Cartesian and spherical components in both frames are linked through the relations µ = m 1; m| µ (1) m , [41] …”