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
Raman frequency shifts calculated from the volume data in naphthalene
Date
2015-06-15
Author
Ozdemir, H.
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
122
views
0
downloads
Cite This
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 frequencies considered in naphthalene. Our results show that the Raman frequencies for the modes studied, can be predicted from the volume data by means of the mode Gruneisen parameters. This also leads to predicting the temperature dependence of the thermal expansion (alpha(P)) and the pressure dependence of the isothermal compressibility (K-T) from the frequency shifts, (1/v)(partial derivative v/partial derivative T)(P), and (1/v)(partial derivative v/partial derivative P)(T), respectively, which can be measured accurately in naphthalene.
Subject Keywords
Raman Frequencies
,
Volume
,
Mode Gruneisen Parameter
,
Naphthalene
URI
https://hdl.handle.net/11511/36626
Journal
JOURNAL OF MOLECULAR STRUCTURE
DOI
https://doi.org/10.1016/j.molstruc.2014.12.035
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 and IR frequencies from the volume data at high pressures in N-2
AKAY, ÖZGE; Yurtseven, Hasan Hamit (2018-01-01)
Raman and IR frequencies of N-2 in the molecular state are calculated as a function of pressure up to 160 GPa by using the volume data from the literature through the mode Gruneisen parameter. By determining the Gruneisen parameters for the lattice modes and vibrons which decrease mostly with increasing pressure from the observed frequency (Raman, IR) and volume data, the Raman and IR frequencies of those modes are calculated at various pressure at room and low temperatures. We find that the Raman and IR fr...
Raman Frequencies calculated as a function of pressure for the rotatory lattice mode in ammonia solid II near the melting point
Yurtseven, Hasan Hamit (2004-04-01)
This study gives our calculations for the Raman frequencies of the rotatory lattice mode in ammonia solid II near the melting point. The Raman frequencies of this mode are calculated as a function of the pressure using the volume data for the fixed temperatures of 230.4 K, 263.4 K, and 297.5 K by means of our Gruneisen relation. Our calculated frequencies can be examined experimentally when the Raman measurements are performed at various pressures for the constant temperatures considered.
Raman Frequencies Calculated at Various Pressures in Phase I of Benzene
Tari, Ozlem; Yurtseven, Hasan Hamit (2013-04-01)
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 mod...
Temperature and Pressure Effect on the Raman Frequencies Calculated from the Crystal Volume in the gamma-Phase of Solid Nitrogen
Yurtseven, Hasan Hamit (Springer Science and Business Media LLC, 2015-09-01)
The temperature and pressure dependences of the Raman frequencies of the lattice modes (E-g and B-1g modes) and of an internal mode (2331 cm(-1)) are predicted using the observed molar volume data from the literature in the gamma-phase of solid N-2. This calculation is carried out by means of the mode Gruneisen parameter of each Raman mode in the gamma-phase of solid nitrogen. Our results show that the predicted Raman frequencies of the E-g mode increase as the pressure increases. The Raman frequencies of t...
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
H. Ozdemir and H. H. Yurtseven, “Raman frequency shifts calculated from the volume data in naphthalene,”
JOURNAL OF MOLECULAR STRUCTURE
, pp. 65–69, 2015, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/36626.