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Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 57, Number 2
JKCSEZ 57(2)
April 20, 2013 

Raman Frequencies Calculated at Various Pressures in Phase I of Benzene
Ozlem Tari, Hamit Yurtseven*
Raman frequency, Lattice modes, Solid phase I, Benzene
We calculate in this study the pressure dependence of the frequencies for the Raman modes of A (Ag), B (Ag, B2g) and C (B1g, B3g) at constant temperatures of 274 and 294K (room temperature) for the solid phase I of benzene. Using the mode GrÜneisen 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.
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