Potential function for the ν7 vibration of phosphorus pentafluoride
- 1 May 1975
- journal article
- conference paper
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 62 (9) , 3671-3675
- https://doi.org/10.1063/1.430964
Abstract
The gas phase Raman spectrum of the ν7 fundamental of PF5 has been observed under spectral resolutions approaching 1 cm−1. With the use of a two dimensional harmonic oscillator basis set and a potential function of the form V (ρ,φ) = (1/2) aρ2 − b cos(3φ) ρ3 + cρ4, an adequate fit to the ν7 region was obtained. The barrier to axial–equatorial fluorine atom interchange was estimated to be 1371 cm−1 (3.92 kcal/mole).Keywords
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