Optically Active Crystal Vibrations of the Alkali-Metal Nitrates

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  • I. Nakagawa
    Department of Chemistry and the Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556
  • J. L. Walter
    Department of Chemistry and the Radiation Laboratory, University of Notre Dame, Notre Dame, Indiana 46556

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<jats:p>The infrared and Raman spectra for the three alkali-metal nitrates LiNo3, NaNO3, and KNO3 have been measured in the region from 1600 to 30 wavenumbers, and a normal-coordinate analysis has been made for these compounds with a special emphasis on the rotational and translational lattice modes in the crystal. All three compounds were studied as D3d6 models and a modified Urey–Bradley force field was used in the calculations. The intramolecular and interaction force constants for all three nitrates are given. The effect of the interaction potential constants on the NO3− ion is discussed as well as the effect of the metal ion–nitrate ionic interaction in the crystal from a comparison of the calculated force constants. Although there are large changes in the rotational and translational lattice frequencies when comparing one alkali-metal nitrate with another, the lack of force constant dependence is interesting.</jats:p>

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