The Borohydride Ion in the Lithium Borohydride Lattice

Abstract

ALTHOUGH the comments of Dr. Brown on my communication are very encouraging for further theoretical investigations, it should be pointed out that the equation used by Brown to calculate the doubly degenerate ν̄2(E) vibration of the BH 4 ion was derived for a tetrahedral ion or molecule which has a spherical and rigid electron distribution. This assumption is certainly not valid in the case of the BH 4 ion in the LiBH4 lattice. In this lattice the tetrahedral ion is considerably deformed, having the site symmetry C s. In addition, it must be pointed out that the crystalline field in which any ion is embedded has a profound influence on the frequencies of vibrational modes (see, for example, refs. 1 and 2). The frequency of ν2, calculated according to the formula derived by Brown, is that of the free tetrahedral BH 4 ion and can only be compared, for example, with the Raman frequencies of BH 4 in liquid ammonia.

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References

  1. 1

    Strasheim, A., and Buijs, K., J. Chem. Phys., 34, 691 (1961).

  2. 2

    Ketelaar, J. A. A., Schutte, C. J. H., and Schram, B. L., Spectrochim. Acta, 13, 336 (1959).

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SCHUTTE, C. The Borohydride Ion in the Lithium Borohydride Lattice. Nature 190, 805 (1961). https://doi.org/10.1038/190805a0

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