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 and IR frequencies from the volume data at high pressures in N-2
Date
2018-01-01
Author
AKAY, ÖZGE
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
149
views
0
downloads
Cite This
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 frequencies increase as the pressure increases in N-2 as observed experimentally. This method of calculating the Raman and IR frequencies from the volume data can be applied to the some other molecular crystals. (C) 2018 Elsevier GmbH. All rights reserved.
Subject Keywords
Raman and IR frequencies
,
Volume
,
Mode Gruneisen parameter N-2
URI
https://hdl.handle.net/11511/39993
Journal
OPTIK
DOI
https://doi.org/10.1016/j.ijleo.2018.01.110
Collections
Department of Physics, Article
Suggestions
OpenMETU
Core
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...
Calculation of the Raman frequency as a function of pressure for the phases of I, III, IV and V in cyclohexane
Yurtseven, Hasan Hamit (2014-06-05)
The Raman frequencies of the v(5) mode are calculated as a function of pressure up to 10 GPa (room temperature) for the phases I, III, IV and V of cyclohexane using the volume data from the literature by means of the isothermal mode Griineisen parameter gamma(T) of this mode.
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...
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 thermodynamic quantities from the Raman frequency shifts and the Pippard relations for the alpha, -alpha and alpha ' phases of oxygen
Tari, O.; Yurtseven, Hasan Hamit (2018-01-01)
Thermodynamic quantities such as the isothermal compressibility, thermal expansion and the difference in the specific heat are calculated as a function of pressure (T=10 K) for the alpha,-alpha and alpha ' phases of oxygen using the observed Raman frequencies of the two librons and one vibron from the literature through the mode Gruneisen parameter for this molecular solid. Calculated thermodynamic quantities decrease with increasing pressure with some discrepancies due to the different pressure - induced R...
Citation Formats
IEEE
ACM
APA
CHICAGO
MLA
BibTeX
Ö. AKAY and H. H. Yurtseven, “Calculation of the Raman and IR frequencies from the volume data at high pressures in N-2,”
OPTIK
, pp. 227–233, 2018, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/39993.