Molecular Structure of PClF4: Infrared Spectrum, Low-Temperature Raman Spectrum, and Gas-Phase Dipole Moment: Pentacoordinated Molecules. IX

The vapor-state infrared spectrum (2000–250 cm−1) and liquid-state Raman displacements (Δv=50–1200 cm−1) of PClF4 are reported. The vapor-state electric dipole moment of PClF4 was obtained from a study of the temperature variation of the dielectric constant over the range −68° to −2°. The resulting value is 0.78±0.01 D. The induced polarization is 13.7±0.4 cc. Interpretation of the vibrational data as well as the dielectric data and 35Cl pure quadrupole resonance frequency support the conclusion that the structure of PClF4 is a trigonal bipyramid (C2v point group) with the chlorine atom located at an equatorial site.