Vibrational Analysis Of TaBr5

Abstract

Vibrational analysis for TaBr5 is achieved on the basis of D3h symmetry and employing GF matrix method. Each vibration is quantitatively assigned according to the calculated values of the potential energy distributions. The force constant values are calculated. These indicate the weakness of the axial Ta--Br bonds (165 Nm^-1) compared with the equatorial Ta--Br (261 Nm^-1). The 2A"2 (v3 and v4) and E' (v5) which were not experimentally observed are calculated at 263, 89, and 308 cm^-1, respectively.