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


Yurtseven H.

SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, cilt.59, ss.1003-1008, 2003 (SCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 59 Konu: 5
  • Basım Tarihi: 2003
  • Doi Numarası: 10.1016/s1386-1425(02)00265-2
  • Dergi Adı: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
  • Sayfa Sayıları: ss.1003-1008

Özet

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 Gruneisen 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. (C) 2002 Elsevier Science B.V. All rights reserved.