Raman Frequencies Calculated at Various Pressures in Phase I of Benzene

Date

2013-04-01

Author

Tari, Ozlem
Yurtseven, Hasan Hamit

Metadata

Show full item record

This work is licensed under a Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.

Item Usage Stats

162
views

0
downloads

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

Suggestions

OpenMETU
Core

Raman frequencies calculated as functions of temperature and pressure using volume data for solid phase I of benzene Yurtseven, Hasan Hamit (2017-01-01) Raman frequencies of six lattice modes are calculated as a function of pressure using the volume data from the literature by means of the isothermal mode Gruneisen parameter (gamma(T)) for the solid phase I of benzene. We find that by determining the yr decreasing, the Raman frequencies calculated for the phonon modes increase with increasing pressure in this solid phase of benzene, which agree with the observed Raman data. We also predict the T-P phase diagram between the solid phases of I and I' by using ...
Calculation of the Raman frequencies as a function of temperature in phase I of benzene Tari, O.; Yurtseven, Hasan Hamit (2013-06-01) This study gives our calculation of the Raman frequencies of the lattice modes A (A(1g)), B (A(g)B(2g)) and C (B1gB3g) as a function of temperature at constant pressures of 0, 1.4 and 3.05 GPa for the solid phase I of benzene. The Raman frequencies of those lattice modes are calculated using the volume data from the literature through the mode Gruneisen parameters for the solid phase I of this molecular crystal. It is shown here that the Raman frequencies of the lattice modes studied decrease with increasin...
Raman frequency shifts for ammonia solid I near the melting point Yurtseven, Hasan Hamit (1999-07-01) We have performed in this study the calculation of the Raman frequencies for two translational modes and one librational mode in the ammonia solid I near the melting point. We have obtained the Raman frequencies as a function of temperature for some fixed pressure by means of the Gruneisen relation using the volume data from the literature. Our calculated Raman frequencies can be compared with experimental data available in the literature.
Raman frequency shifts calculated from the volume data in naphthalene Ozdemir, H.; Yurtseven, Hasan Hamit (2015-06-15) The Raman frequencies for modes of symmetry Ag and Bg are calculated as functions of temperature (at atmospheric pressure) and pressure (at room temperature) using the observed volume data from the literature through the mode Gruneisen parameters in naphthalene. By determining the temperature and pressure dependence of the isobaric (gamma(P)) and isothermal (gamma(T)) mode Gruneisen parameters, respectively, the Raman frequencies of the modes which were calculated, are in good agreement with the observed fr...
Ultrasonic frequencies calculated for the q[100] mode in the first-order, tricritical and the second-order phase transitions of NH4Cl Yurtseven, Hasan Hamit (2001-06-01) This study correlates the volume changes to the ultrasonic frequencies of the q[100] mode of NH4Cl for the first-order, tricritical and the second-order phase transitions in this crystal. Using these correlations we were able to calculate the ultrasonic frequencies of this mode at the pressures of 0, 0.6 and 1.1 kbar (first-order), 1.6 kbar (tricritical) and 2.15 kbar (second-order) by means of the volume change data from the literature. Our calculated frequencies are in good agreement with the observed dat...

Citation Formats

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.