M.T. Gulluoglu
Ahi Evran University
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Featured researches published by M.T. Gulluoglu.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2010
Y. Erdogdu; O. Unsalan; D. Sajan; M.T. Gulluoglu
NIR-FT Raman and FT-IR spectra of 6-chloroflavone were recorded and analyzed. The vibrational wavenumber of the compound have been computed using B3LYP/6-31++G(d,p) level to derive the equilibrium geometry, conformational stability, molecular orbital energies and vibrational wavenumbers. The carbonyl stretching vibrations have been lowered due to conjugation and hydrogen bonding in the molecules. The assignment of fundamental vibrations agrees well with the calculated wavenumbers.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2015
Semran Saglam; Ali Dişli; Y. Erdogdu; M.K. Marchewka; N. Kanagathara; B. Bay; M.T. Gulluoglu
In this study, 5-(benzylthio)-1-cylopentyl-1H-tetrazole (5B1C1HT) have been synthesized. Boiling points of the obtained compound have been determined and it has been characterized by FT-IR, (1)H NMR, (13)C-APT and LC-MS spectroscopy techniques. The FT-IR, (1)H NMR and (13)C-APT spectral measurements of the 5B1C1HT compound and complete assignment of the vibrational bands observed in spectra has been discussed. The spectra were interpreted with the aid of normal coordinate analysis following full structure optimization and force field calculations based on Density Functional Theory (DFT) at 6-311++G(**), cc-pVDZ and cc-pVTZ basis sets. The optimized geometry with 6-311++G(**) basis sets were used to determine the total energy distribution, harmonic vibrational frequencies, IR intensities.
Molecular Simulation | 2012
Y. Erdogdu; Ö. Dereli; D. Sajan; Lynnette Joseph; O. Unsalan; M.T. Gulluoglu
FT-Raman and FT-IR spectra of the 7-aminoflavone have been recorded and analysed. The detailed interpretation of the vibrational spectra has been carried out with the aid of normal coordinate analysis following the scaled quantum mechanical force field methodology. The various intramolecular interactions that are responsible for stabilisation of the molecule were revealed by natural bond orbital analysis. The obtained vibrational wavenumbers and optimised geometric parameters were observed to be in good agreement with the experimental data. The carbonyl stretching vibrations have been lowered due to conjugation and hydrogen bonding in the molecules.
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2015
Y. Erdogdu; Semran Saglam; M.T. Gulluoglu
Fourier-Transform-Infrared, Fourier-Transform-Raman and Nuclear Magnetic Rezonans spectra of 1-(p-tolylsulfonyl) pyrrole molecule have been recorded. In the powder form, vibrational spectra of 1-(p-tolylsulfonyl) pyrrol molecule were investigated in the region 4000-400 cm(-1) and 3500-50 cm(-1), respectively. The conformational analysis, geometrical structure, molecular electrostatic potential map, HOMO-LUMO and vibrational spectroscopic properties of the isolated 1-(p-tolylsulfonyl) pyrrole molecule have also been carried out at the Molecular Mechanic and Density Functional Theory approaches. Density Functional Theory results have been associated with Scaled Quantum Mechanics Force Field for fitting between the theoretical and the experimental frequencies.
Optics and Spectroscopy | 2014
Ö. Dereli; Y. Erdogdu; M.T. Gulluoglu; N. Sundaraganesan; Ercan Türkkan; Ulku Sayin; Ayhan Özmen
In the present study, an exhaustive conformational search of the Alpha-benzoinoxime has been performed. The FT-IR spectrum of this compound was recorded in the region 4000–400 cm−1. The FT-Raman spectrum was also recorded in the region 3500–50 cm−1. Vibrational frequences of the title compound were calculated by B3LYP method using 6–311++G(d, p) basis set. The calculated vibrational frequences were analysed and compared with experimental results.
Journal of Molecular Structure | 2011
M.T. Gulluoglu; Y. Erdogdu; J. Karpagam; N. Sundaraganesan; Şenay Yurdakul
Journal of Molecular Structure | 2012
Ö. Dereli; Y. Erdogdu; M.T. Gulluoglu; Ercan Türkkan; Ayhan Özmen; N. Sundaraganesan
Journal of Molecular Structure | 2013
E. Karakaş Sarıkaya; Ö. Dereli; Y. Erdogdu; M.T. Gulluoglu
Journal of Molecular Structure | 2012
Ö. Dereli; Y. Erdogdu; M.T. Gulluoglu
Journal of Molecular Structure | 2011
S. Chandra; H. Saleem; Y. Erdogdu; S. Subashchandrabose; Akhil R. Krishnan; M.T. Gulluoglu