Calculated Vibrational Frequencies of PMo12O403-and its Fragments

Abstract
Calculated vibrational frequencies are reported for the PMo12O40 3– ion according to a 53-atomic tetrahedral model (Td). The results are compared with calculated frequencies for fragments of this structure, viz. PO4 (Td), Mo3O13 (C3v), Mo3O7 (C3v, Mo2O11 (Cs) and Mo2O10 (Cs). A complete vibrational analysis of the PMo12O40 3– ion has been performed. The adopted model of Td symmetry is an idealization of x-ray structure data. 1 The normal modes of vibration according to this model are distributed as: