Browsing by Author "Arici, K."

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Calculation of Coster-Kronig Enhancement Factors and L Subshell X-Ray Fluorescence Cross-Sections for 55cs
(Asian Journal of Chemistry, 2010) Yilmaz, R.; Arici, K.
X-Ray fluorescence cross-sections (sigma(Li), i = alpha, beta, l, gamma) of the Cs-55 element were calculated theoretically at excitation energies for each L, (i = 1, 2 and 3) subshell, respectively. Coster-Kronig transitions (f(12), f(23) and f(13)) are non-radiative transitions in which an inner shell vacancy is transferred from one subshell of an atom to another. The increase in L X-ray intensity due to the effect the Coster-Kronig transitions on L X-ray fluorescence cross sections were calculated theoretically. These calculated values were compared with other experimental and theoretical values. Calculations showed that the alteration in absolute intensities of L-upsilon and L-rho lines arising from Coster-Kronig transitions are greater than that of L-beta.
Calculation of Coster-Kronig Enhancement Factors for 60nd and 61pm at Different Excitation Energies
(Asian Journal of Chemistry, 2011) Yilmaz, R.; Tas, R.; Babayigit, R.; Arici, K.
Coster-Kronig processes are radiationless in which an inner-shell vacancy is transferred from one subshell of an atom to another, both belonging to the same principal shell. Because of the effect of Coster-Kronig transition on L X-ray fluorescence cross sections, an increase in L X-ray intensity were calculated theoretically at different exciation energies for L-1, L-2 and L-3 subshells. These are called as Coster-Kronig enhancement factors and were represented as K-i(i = alpha, beta, l). These calculated values were compared with other experimental and theoretical values. Calculations showed that when the excitation energies were increased with respect to absorbtion edge energy, L X-ray fluorescence cross sections decrease while Coster-Kronig enhancement factors increase.
Infrared Spectra, Density Functional Theory and Hartree-Fock Theoretical Calculations of 2-Methyl
(Asian Journal of Chemistry, 2013) Arici, K.; Yilmaz, R.
The Fourier transform infrared and Raman spectra of 2-methyl-8-quinolinol have been recorded at solid phase and in the region 4000-400 cm(-1). The molecular geometry, vibrational frequency, infrared intensities bands of 2-methyl-8-quinolinol in ground state have been calculated by Hartree-Fock and density functional theory with the B3LYP, BLYP and B3PW91 functional and 6-311G(dp) basis set, respectively. The calculated frequencies has been scaled which compared with experimental infrared and Raman spectra. The geometry and normal modes of vibration obtained from the Hartree-Fock and density functional theory methods are in good agreement with the experimental data.