Calculation of the Raman frequencies of the translational mode in ammonia solid II

Spectrochim Acta A Mol Biomol Spectrosc. 2003 Mar 15;59(5):1003-8. doi: 10.1016/s1386-1425(02)00265-2.

Abstract

We report here our calculated Raman frequencies of the translational mode as a function of temperature for the fixed pressures of 3.65, 5.02 and 6.57 kbars in the ammonia solid II. They were calculated by means of our Grüneisen relation using the volume data from the literature for all the pressures indicated within the temperature regions close to the melting point in this system. Our calculated frequencies are in very good agreement with those observed experimentally for this translational mode of the ammonia solid II. This shows that the observed behaviour of ammonia solid II can be described adequately by means of the calculation employed here.

MeSH terms

  • Ammonia / chemistry*
  • Pressure
  • Spectrum Analysis, Raman
  • Temperature

Substances

  • Ammonia