E-SPECIES FORCE CONSTANTS FOR POF3,PSF3,VOF3, AND CLO3F

Calculations of the E-species force constants of the general harmonic force field have been carried out for POF3, PSF3, VOF 3, and ClO3F using the vibrational frequencies and Coriolis constants of vibrationrotation interaction as experimental data. The Coriolis constants were determined from the shapes of the gas-phase infrared band envelopes. The calculations show that for these molecules F 44>F66>F55, and all of the off-diagonal force constants are negative, except for F45 in VOF3 which is positive. Normal-coordinate calculations also show that the normal modes are strong mixtures of the corresponding symmetry coordinates.