Potential function for the ngr;7vibration of phosphorus pentafluoride

摘要

The gas phase Raman spectrum of the ngr;7fundamental of PF5has been observed under spectral resolutions approaching 1 cmminus;1. With the use of a two dimensional harmonic oscillator basis set and a potential function of the formV(rgr;,fgr;) = (1/2)argr;2minus;bthinsp;cos(3fgr;) rgr;3+crgr;4, an adequate fit to the ngr;7region was obtained. The barrier to axialndash;equatorial fluorine atom interchange was estimated to be 1371 cmminus;1(3.92 kcal/mole).