STRUCTURE AND DYNAMICS OF MOLTEN ALUMINUM AND GALLIUM TRIHALIDES .2. RAMAN-SPECTROSCOPY AND AB-INITIO CALCULATIONS

Results of Raman scattering experiments combined with ab initio molecular orbital calculations are presented on the structure and vibrational properties of molten GaI3, GaBr3, AlCl3, and AlBr3. It is confirmed that, to a high degree, all of these compounds have in the molten state a dimer structure, represented by M(2)X(6), consisting of two tetrahedra sharing a halide edge. It is shown that in AlCl3 the melting process leads to a drastic change in the vibrational spectrum, whereas in the remaining salts the crystalline peak positions are essentially preserved.