Abstract
AbstractA normal coordinate analysis of the vibration spectrum of crystalline V2O5 is carried out in the assumption of a Urey‐Bradley force field. The calculated frequencies are adjusted to 29 experimental infrared and Raman frequencies by an automatic force constant refinement program. Analysis of the potential energy distribution and the atomic displacements allows the classification of the modes into nine types of oxygen vibrations and three types of chain modes. A discussion is given of effective charges and infrared intensities. An assignment of the infrared spectrum of polycrystalline V2O5 is added.
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