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Raman Frequencies Calculated at Various Pressures in Phase I of Benzene
Date
2013-04-01
Author
Tari, Ozlem
Yurtseven, Hasan Hamit
Metadata
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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.
Subject Keywords
Benzene
,
Solid phase I
,
Lattice modes
,
Raman frequency
URI
https://hdl.handle.net/11511/56956
Journal
JOURNAL OF THE KOREAN CHEMICAL SOCIETY-DAEHAN HWAHAK HOE JEE
DOI
https://doi.org/10.5012/jkcs.2013.57.2.204
Collections
Department of Physics, Article
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O. Tari and H. H. Yurtseven, “Raman Frequencies Calculated at Various Pressures in Phase I of Benzene,”
JOURNAL OF THE KOREAN CHEMICAL SOCIETY-DAEHAN HWAHAK HOE JEE
, pp. 204–209, 2013, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56956.