Abstract
The normal mode frequencies and corresponding vibrational assignments of aluminum tetrahydroborate in D 3 symmetry are examined theoretically using the gaussian 98 set of quantum chemistry codes. All normal modes were successfully assigned to one of seven types of motion (BH stretch, AlB stretch, BAlB bend, HBH bend, BH 4 wag, BH 4 rock, and BH 4 twist) predicted by a group theoretical analysis. By comparing the vibrational frequencies with infrared and Raman spectra available in the literature, a set of scaling factors is derived. Theoretical infrared intensities and Raman activities are reported.
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