The experimental determination of ground state dipole moments from dielectric constant measurements using ellipsoidal cavity correction factors
- 15 March 1981
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 74 (6) , 3514-3521
- https://doi.org/10.1063/1.441505
Abstract
An equation is derived from the Onsager–Böttcher formalism to calculate permanent dipole moments of molecules of ellipsoidal shape from dielectric constant data. An expression is also derived which allows dipole moments calculated by spherical cavity formalisms to be corrected without repeating the experiment. This expression is applied to literature values calculated using the Debye equation, and it is shown that the correction brings the published values for nonspherical molecules closer to the vapor phase values. Tables of the ellipsoidal shape factor Aa as a function of the ratios of the axes of the molecular ellipsoid are presented. Interpolation algorithms can be used in conjunction with the above tables to calculate Aa to at least three significant digits.Keywords
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