Potential Constants of PCl3 from Amplitudes of Vibration and Normal Vibration Frequencies

1 February 1962

journal article
research article
Published by AIP Publishing in The Journal of Chemical Physics

Vol. 36 (3) , 594-598
https://doi.org/10.1063/1.1732576

Abstract

Using the mean square amplitudes of vibration obtained from gaseous electron diffraction experiments at 300° and 505°K together with the normal vibration frequencies, a reasonable set of values has been derived for the potential constants of the general quadratic function

{2V=Σf}_{τ} {(Δr}_{i})^{2} {+2Σf}_{rr} {(Δr}_{i} {)(Δr}_{j} {)+Σf}_{θ} {(r}_{0} {Δθ}_{ij})^{2} {+2Σf}_{θθ} {(r}_{0} {Δθ}_{ij} {)(r}_{0} {Δθ}_{jk} {)+2Σf}_{rθ} {(Δr}_{i} {)(r}_{0} {Δθ}_{ij} {)+2Σf}_{rθ}^{'} {(Δr}_{i} {)(r}_{0} {Δθ}_{jk}).

The values in millidynes/A are, with estimated standard errors,

f_{r} {=2.82}_{9} {±0.37}_{4} {,f}_{rr} {=0.58}_{9} {±0.29}_{8} {,f}_{θ} {=0.27}_{8} {±0.03}_{8} {,f}_{θθ} {=0.45}_{5} {±0.03}_{9} {,f}_{rθ} {=0.27}_{3} {±0.21}_{2} {,f}_{rθ}^{'} {=0.07}_{1} {±0.28}_{0}

Keywords

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