Calculated Vibrational Frequencies of PMo12O40 3- and its Fragments |
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| Authors: | L Lyhamn S J Cyvin |
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| Institution: | 1. Department of Inorganic Chemistry , The University of Une? , S-901 87, Ume?, Sweden;2. Division of Physical Chemistry , The University of Trondheim , N-7034, Trondheim, NTH, Norway |
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| 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: |
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| Keywords: | Molecular vibrations Vibrational frequencies PMo12O40 3– (fragments:) PO4 Mo3O13 Mo3O7 Mo2O11 Mo2O10 |
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