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Lattice vibrations of boron trihalide crystals

1974; American Institute of Physics; Volume: 60; Issue: 11 Linguagem: Inglês

10.1063/1.1680918

1520-9032

O. S. Binbrek, Narasingarao Krishnamurthy, Anthony Anderson,

Luminescence Properties of Advanced Materials

The infrared and Raman spectra of polycrystalline samples of BCl3, BBr3, and BI3 at 80 and 18 K have been recorded. In the intramolecular region, isotopic and crystalline field splittings are observed in substantial agreement with earlier work. In the lattice region, no far-infrared absorption has been found, in accordance with predictions from a group theoretical analysis based on the known structures of these isomorphous crystals. The three observed Raman lattice modes are assigned according to these procedures, and their frequencies are compared with those derived from calculations of the lattice statics and dynamics of these crystals. It is found that a four-parameter model using the rigid molecule approximation and simple pairwise interaction potentials between X–X and B–X atoms is capable of giving acceptable values of the zone center frequencies while simultaneously satisfying the static equilibrium conditions for these crystals.