Raman Frequencies Calculated at Various Pressures in Phase I of Benzene


Tari O., YURTSEVEN H. H.

JOURNAL OF THE KOREAN CHEMICAL SOCIETY-DAEHAN HWAHAK HOE JEE, vol.57, no.2, pp.204-209, 2013 (Journal Indexed in ESCI) identifier identifier

  • Publication Type: Article / Article
  • Volume: 57 Issue: 2
  • Publication Date: 2013
  • Doi Number: 10.5012/jkcs.2013.57.2.204
  • Title of Journal : JOURNAL OF THE KOREAN CHEMICAL SOCIETY-DAEHAN HWAHAK HOE JEE
  • Page Numbers: pp.204-209

Abstract

We calculate in this study the pressure dependence of the frequencies for the Raman modes of A (A(g)), B (A(g), B-2g) and C (B-1g, B-3g) at constant temperatures of 274 and 294K (room temperature) for the solid phase I of benzene. Using the mode Gruneisen parameter of each lattice mode, which correlates the pressure dependence of the crystal volume and the frequency, the Raman frequencies of those modes are computed for phase I of benzene. Our results show that the Raman frequencies of the three lattice modes (A, B and C) increase as the pressure increases, as expected. The temperature effect on the Raman frequencies is not significant, which can be explained by the experimental measurements.