Yazar "Gulluoglu, M. T." için listeleme
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DFT simulations, FT-IR, FT-raman, and FT-NMR spectra of 4-(4-chlorophenyl)-1H-imidazole molecules
Erdogdu, Y.; Gulluoglu, M. T.; Yurdakul, S.; Dereli, O. (MAIK NAUKA/INTERPERIODICA/SPRINGER, 2012)The FT-IR, FT-Raman and FT-NMR spectra of the compound 4-(4-Chlorophenyl)-1H-imidazole (4-ClPI) was recorded and analyzed. Density functional method has been used to compute optimized geometry, vibrational wavenumbers and ... -
DFT, FT-Raman, FT-IR and FT-NMR studies of 4-phenylimidazole
Gulluoglu, M. T.; Erdogdu, Y.; Karpagam, J.; Sundaraganesan, N.; Yurdakul, S. (ELSEVIER SCIENCE BV, 2011)The experimental and theoretical vibrational spectra of 4-phenylimidazole (4-PI) were studied. The FT-IR, FT-Raman and FT-NMR spectra of 4-PI molecule was recorded in the powder form. The tautomeric, structural and ... -
Experimental and Theoretical Vibrational Spectroscopic Study of Zinc (II) Halide Complexes of 4-Acetylpyridine
Erdogdu, Y.; Sertbakan, T. R.; Dereli, O.; Gulluoglu, M. T.; Yurdakul, S. (GAZI UNIV, 2017)In the present work, we present a detailed experimental and theoretical study of the zinc (II) halide complexes of 4-acetylpyridine (abbreviated as 4-Ap) (Zn (L)(2) X-2, [where L: C7OH7N; X: Cl, Br and I]). The infrared ... -
FT-IR and Raman Spectroscopy and Computation of 5-Methylfurfural
Erdogdu, Y.; Sertbakan, T. R.; Gulluoglu, M. T.; Yurdakul, S.; Guvenir, A. (SPRINGER, 2018)5-Methylfurfural (5MF) was studied by vibrational (IR and Raman) spectroscopy and computational methods (DFT/B3LYP&MP2). FT-IR and FT-Raman spectra in KBr (at room temperature) were collected. The Gaussian 09 and Spartan ... -
FT-IR, FT-Raman spectra and scaled quantum mechanical study of 4-amino-1-benzylpiperidine
Chandra, S.; Saleem, H.; Erdogdu, Y.; Subashchandrabose, S.; Krishnan, Akhil R.; Gulluoglu, M. T. (ELSEVIER, 2011)In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra of 4-amino-1-benzyl piperidine (4A1BP). The FT-IR and FT-Raman spectrum have been recorded in the region ... -
FT-IR, FT-Raman, NMR spectra and DFT simulations of 4-(4-fluoro-phenyl)-1H-imidazole
Erdogdu, Y.; Manimaran, D.; Gulluoglu, M. T.; Amalanathan, M.; Joe, I. Hubert; Yurdakul, S. (PLEIADES PUBLISHING INC, 2013)The FT-IR, FT-Raman and FT-NMR spectra of the compound 4-(4-Fluoro-phenyl)-1H-imidazole (4-FPI) were recorded and analyzed. Density functional method (B3LYP level with the 6-311G(d, p) and 6-311++G(d, p) and cc-pVQZ as ... -
An investigations on the molecular structure, FT-IR, FT-Raman and NMR spectra of 1-(p-tolylsulfonyl) pyrrole by theoretical and experimental approach
Erdogdu, Y.; Saglam, S.; Gulluoglu, M. T. (PERGAMON-ELSEVIER SCIENCE LTD, 2015)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 ... -
Molecular structure and vibrational spectra of 7-Ethoxycoumarin by density functional method
Sarikaya, E. Karakas; Dereli, O.; Erdogdu, Y.; Gulluoglu, M. T. (ELSEVIER SCIENCE BV, 2013)In the present study, as a result of detailed conformational search of the 7-Ethoxycoumarin, four different conformers of (7EC) have been obtained. The FT-IR and Raman spectra of 7EC were recorded in the region 4000-400 ... -
Molecular Structure and Vibrational Spectra of Alpha-Benzoinoxime by Density Functional Method
Dereli, O.; Erdogdu, Y.; Gulluoglu, M. T.; Sundaraganesan, N.; Turkkan, E.; Sayin, U.; Ozmen, A. (MAIK NAUKA/INTERPERIODICA/SPRINGER, 2014)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 ... -
Molecular structure, vibrational spectral investigation and the confirmation analysis of 4-Methylesculetin molecule
Erdogdu, Y.; Guzel, M.; Gulluoglu, M. T.; Amalanathan, M.; Saglam, S.; Joe, I. Hubert (PLEIADES PUBLISHING INC, 2014)In this work, FT-IR, FT-Raman, and FT-NMR spectra of 4-Methylesculetin molecule are presented for the first time. FT-IR, FT-Raman, and FT-NMR spectra of 4MEC have been recorded and analyzed. The FT-IR and FT-Raman spectra ... -
Structural conformations and vibrational spectral study of chloroflavone with density functional theoretical simulations
Erdogdu, Y.; Unsalan, O.; Sajan, D.; Gulluoglu, M. T. (PERGAMON-ELSEVIER SCIENCE LTD, 2010)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 ... -
Study on molecular structure and vibrational spectra of (triphenylphosphoranylidene) acetaldehyde using DFT: A combined experimental and quantum chemical approach
Dereli, O.; Erdogdu, Y.; Gulluoglu, M. T. (ELSEVIER, 2012)In the present study, an exhaustive conformational search of the (triphenylphosphoranylidene) acetaldehyde has been performed. The FT-IR spectrum of this compound was recorded in the region 4000-400 cm(-1). The FT-Raman ... -
Synthesis, characterization and theoretical studies of 5-(benzylthio)-1-cylopentyl-1H-tetrazole
Saglam, S.; Disli, A.; Erdogdu, Y.; Marchewka, M. K.; Kanagathara, N.; Bay, B.; Gulluoglu, M. T. (PERGAMON-ELSEVIER SCIENCE LTD, 2015)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, H-1 NMR, C-13-APT and LC-MS ... -
Synthesis, spectroscopic and DFT investigation of dimethyl-2-(5-acetyl-2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(triphenylphosphinylidene)succinate
Vessally, E.; Fereyduni, E.; Erdogdu, Y.; Habibi, A.; Eskandari, K.; Gulluoglu, M. T. (ELSEVIER SCIENCE BV, 2011)Dimethyl-2-(5-acetyl-2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)-3-(triphenylphosphinylidene)succinate has been synthesized and characterized by elemental analysis, FT-IR and H-1, C-13 and P-31 NMR. The vibrational wavenumbers, ... -
Theoretical investigations on the molecular structure and vibrational spectral analysis of 4-methyl 2-phenylimidazole
Erdogdu, Y.; Eskioglu, B.; Gulluoglu, M. T. (PLEIADES PUBLISHING INC, 2012)The FT-IR, FT-Raman and FT-NMR spectra of 4-Methyl-2-phenylimidazole (4M2PI)molecule was recorded and analyzed. The tautomeric, structural and spectroscopic analysis of the title molecule was made by using density functional ... -
Vibrational (FT-IR and FT-Raman) spectral investigations of 7-aminoflavone with density functional theoretical simulations
Erdogdu, Y.; Dereli, O.; Sajan, D.; Joseph, L.; Unsalan, O.; Gulluoglu, M. T. (TAYLOR & FRANCIS LTD, 2012)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 ... -
Vibrational spectral and quantum chemical investigations of tert-butyl-hydroquinone
Dereli, O.; Erdogdu, Y.; Gulluoglu, M. T.; Turkkan, E.; Ozmen, A.; Sundaraganesan, N. (ELSEVIER, 2012)The Fourier transform infrared (FT-IR) and micro-Raman spectra of tert-butyl-hydroquinone were recorded in the region 4000-400 cm(-1) and 4000-50 cm(-1), respectively. Conformational space was scanned with molecular mechanic ...
