POTENTIAL FUNCTION FOR THE $\nu_{7}$ VIBRATION OF PHOSPHORUS PENTAFLUORIDE

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1975

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Ohio State University

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The gas phase Raman spectrum of the $\nu_{7}$ fundamental of $PF_{5}$ 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 $V(p, \varphi) = 1/2ap^{2} - b \cos(3\varphi)p^{3} + cp^{4}$, an adequate fit to the observed spectrum was obtained. In addition, this potential enabled us to estimate an axial-equatorial fluorine interchange barrier of 1371 $cm^{-1}$ (3.92 Kcal/mole). As one might expect, the other $MF_{5}$ ($D_{3{h}}$) gas phase molecules such as $AsF_{5}$ and $VF_{5}$ should show a $\nu_{7}$ spectrum very similar to that of $PF_{5}$. We are currently studying $AsF_{5}$ and $VF_{5}$ and find this to be the case.

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Author Institution: Bell Laboratories, Murray Hill; Inorganic Materials Research Division Lawrence Berkeley Laboratory and Chemistry Department, University of California; Inorganic Materials Research Division Lawrence Berkeley Laboratory and Chemistry Department, National Bureau of Standards; Laboratory of Chemical Physics, National Institute of Arthritis Metabolism and Digestive Diseases

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