Show/Hide Menu
Hide/Show Apps
Logout
Türkçe
Türkçe
Search
Search
Login
Login
OpenMETU
OpenMETU
About
About
Open Science Policy
Open Science Policy
Communities & Collections
Communities & Collections
Help
Help
Frequently Asked Questions
Frequently Asked Questions
Guides
Guides
Thesis submission
Thesis submission
MS without thesis term project submission
MS without thesis term project submission
Publication submission with DOI
Publication submission with DOI
Publication submission
Publication submission
Supporting Information
Supporting Information
General Information
General Information
Copyright, Embargo and License
Copyright, Embargo and License
Contact us
Contact us
Calculation of the Raman frequencies as a function of pressure in the solid phases II and III (III ') of benzene
Date
2013-06-01
Author
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
52
views
0
downloads
Cite This
We calculate here the Raman frequencies of the lattice modes A(A (g) ), B(B (2g) ) and C(B (1g) B (3g) ) 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 Gruneisen 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.
Subject Keywords
Physical and Theoretical Chemistry
,
Inorganic Chemistry
,
Organic Chemistry
,
Computational Theory and Mathematics
,
Catalysis
,
Computer Science Applications
URI
https://hdl.handle.net/11511/38298
Journal
JOURNAL OF MOLECULAR MODELING
DOI
https://doi.org/10.1007/s00894-013-1771-6
Collections
Department of Physics, Article
Suggestions
OpenMETU
Core
Calculation of the Raman frequencies using volume data close to the tricritical and second order phase transitions in NH4Cl
Yurtseven, Hasan Hamit (Elsevier BV, 2009-04-30)
We calculate here the Raman frequencies of the v(5) TO(174 cm(-1)) and v(2) (1708 cm(-1)) modes as a function of temperature in the region of the tricritical (P = 1.6 kbar) and the second order (P = 2.8 kbar) phase transitions in NH4Cl. This calculation of the Raman frequencies is performed through the mode Gruneisen parameter by using the experimental length-change data obtained at zero pressure where the NH4Cl crystal exhibits a weakly first order phase transition (T-lambda = 242 K). The predicted Raman f...
A temperature-concentration (T-X) phase diagram calculated using the mean field theory for liquid crystals
Yurtseven, Hasan Hamit; KARACALİ, HUSEYİN (Springer Science and Business Media LLC, 2013-06-01)
Phase-line equations for smectic-hexatic phase transitions in liquid crystals were derived using the Landau phenomenological theory. In particular, second-order transitions for the smectic-A-smectic-C (SmA-SmC) and hexatic-B-hexatic-F (or HexI) transitions were studied and the tricritical points for these transitions were located. The calculated phase-line equations were fitted (using experimental data for various liquid crystals) to construct a generalized T-X phase diagram. It was shown that the T-X phase...
Temperature dependence of the polarization and the dielectric constant near the paraelectric-ferroelectric transitions in BaTiO3
Yurtseven, Hasan Hamit (Springer Science and Business Media LLC, 2013-09-01)
Temperature dependences of the spontaneous polarization and the dielectric constant are calculated near the paraelectric-ferroelectric (cubic-tetragonal) transition in BaTiO3 using our mean field model. By expanding the free energy in terms of the spontaneous polarization (order parameter), expressions for the temperature dependence of the spontaneous polarization and the dielectric constant are derived. By considering the temperature dependence of the Raman frequencies for the lattice mode (310 cm(-1)) whi...
Calculation of the Raman Linewidths of Lattice Modes Close to the alpha-beta Transition in Quartz
Lider, Mustafa Cem; Yurtseven, Hasan Hamit (Walter de Gruyter GmbH, 2012-12-01)
The Raman frequencies of the lattice modes (147 cm(-1) and 207 cm(-1)) are analyzed for the alpha-beta transition in quartz according to a power-law formula with the critical exponent by using the experimental data. The temperature dependence of the Raman frequency is associated with the order parameter (polarization P) for this transition in the quartz crystal.
Calculation of the specific heat using the Raman frequency shifts for the solid I-II transition in benzene
Yurtseven, Hasan Hamit (Elsevier BV, 2015-06-15)
The specific heat C-p is calculated as a function of temperature using the observed Raman frequency shifts of the six lattice modes at constant pressures of 0 and 0.1 GPa for the solid I-II transition in benzene. This calculation is performed using the volume data through the mode Grfineisen parameter of each lattice mode which we determined as functions of temperature and pressure. The specific heat C-p is also calculated as a function of pressure at room temperature using the Raman frequency shifts of tho...
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
H. H. Yurtseven, “Calculation of the Raman frequencies as a function of pressure in the solid phases II and III (III ’) of benzene,”
JOURNAL OF MOLECULAR MODELING
, pp. 2243–2248, 2013, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/38298.