6.
Ferreira M. M. C., Neto B. B., Bruns R. E., “Dipole Moment Derivative Signs, Polar Tensors and Vibrational Intensities of C₂F₆”. J. Phys. Chem., 93(8), 2957-2959 (Apr 1989).
[Article in section: Spectra, Structure and Molecular Dynamics.]

Abstract.
The atomic polar tensors of hexafluoroethane calculated from the experimental vibrational intensities measured previously are reported. Dipole moment derivatives signs were determined using STO-3G and 4-31G molecular orbital wave functions. The fluorine polar tensor invariants, p, b, and c, are found to be significantly smaller than those for fluorine of the substituted fluoromethanes. Transference of fluorine polar tensor elements from CH₃F and CF₄ to C₂F₆ results in reasonably accurate estimates for the C₂F₆ vibrational intensities with the exception of the one for the n₇ E symmetry stretching mode, which is calculated to be much too large.

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