Calculation of the Raman frequencies as a function of pressure in the solid phases II and III (III’) of benzene
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KünyeYurtseven, H. ve Tarı, Ö. (2013). Calculation of the Raman frequencies as a function of pressure in the solid phases II and III (III’) of benzene. Journal of Molecular Modeling. 19. 6, 2243-2248.
We calculate here the Raman frequencies of the lattice modes A(Ag), B(B2g) and C(B1gB3g) as a function of pressure at room temperature for the solid phases (II, III and III’) of benzene. This calculation is performed using volume data through the mode Grüneisen parameter. It is found that our calculated frequencies of those lattice modes increase with increasing pressure, as expected. Calculated frequencies are in good agreement with the measurements of the three lattice modes for the solid phases studied in benzene.