Yazar "Yurdakul, S." için listeleme
-
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, 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 ...
