INTRAMOLECULAR MODE MIXING IN $NaClO_{3}$ AND $NaBrO_{3}$ CRYSTALS
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Date
1979
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Ohio State University
Abstract
The molecular anions $ClO^{-}_{3}$ and $BrO^{-}_{3}$ exhibit symmetric and a symmetric intramolecular stretching vibrations, $\nu_{1}$ and $\nu_{3}$, which transform according to the $A_{1}$ and E irreducible representations of the $C^{1}_{3u}$ point group. However in $NaClO_{3}$ and $NaBrO_{3}$, crystals (space group $T^{4}, P2_{1}3$) the multiply occupied unit cells result in factor group components of F symmetry which originate in the symmetric and asymmetric at stretching vibrations. These components are sufficiently close in frequency so that intramolecular mode mixing is significant. This effect is investigated in terms of convenient model and the infrared and Raman spectra of the vibrational multiplet structure in anion stretching region are analyzed.
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