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The Vibrations of V 2 O 4 : Matrix Isolation and Quantum Chemical Calculations.
Journal of Physical Chemistry. A 2017 December 8
V2 O4 was generated in solid Ne and characterized by infrared spectroscopy and additionally by multireference configuration interaction and density functional calculations. Four vibrational transitions at 1003, 731.7, 640.9, and 309.1 cm-1 (16 O2 ) were observed and, based on the calculations, assigned to bu , au , bu , and bu modes, respectively, of the C2h symmetric structure. The calculated bond distances are in good agreement with the results of previous calculations.
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