Molecular vibrations of zirconium(IV) tetrahydroborate, a compound containing triple hydrogen bridges

Abstract
The i.r. and Raman spectra of Nujol solutions and solid samples of both Zr(BH4)4 and Zr(BD4)4 are reported. The assignments of the observed spectra are discussed on the basis of both T and Td symmetry point groups. Significant contributions to the Zr(BD4)4 spectra of 1H-containing species are observed. A modified valence force field incorporating an explicit Zr–B stretching force constant (1.5 mdyn Å–1) is developed. Qualitative descriptions of the normal vibrations are made on the basis of calculated potential-energy distributions.

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