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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 ...

Synthesis and spectral characterization of bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)propane

Subashchandrabose, S.; Thanikachalam, V.; Manikandan, G.; Saleem, H.; Erdogdu, Y. (PERGAMON-ELSEVIER SCIENCE LTD, 2016)

Bis(4-amino-5-mercapto-1,2,4-triazol-3-yl)propane (BAMTP) was synthesized and characterized by FT-IR and FT -Raman spectra. Gas phase structure of BAMTP was examined under density functional theory B3LYP/6-311 ++G(d, p) ...

Structural, vibrational and hyperpolarizability calculation of (E)-2-(2-hydroxybenzylideneamino)-3-methylbutanoic acid

Subashchandrabose, S.; Saleem, H.; Erdogdu, Y.; Dereli, O.; Thanikachalam, V.; Jayabharathi, J. (PERGAMON-ELSEVIER SCIENCE LTD, 2012)

The (E)-2-(2-hydroxybenzylideneamino)-3-methylbutanoic acid (E)-2HBAMBA was synthesized. The FT-IR, FT-Raman and UV-vis spectra have been recorded and characterized. Theoretical wavenumbers along with IR and Raman intensities ...

Structural, calorimetric and vibrational investigations of 2,3 and 4-hydroxyanilinium perchlorate: A theoretical and experimental study

Erdogdu, Y.; Drozd, M.; Marchewka, M. K. (ELSEVIER SCIENCE BV, 2012)

Complexes of perchloric acid with interesting physical properties are investigated in details. Single crystals of 2-hydroxyanilinium perchlorate (abbreviated as 2HAP-ClO4), 3-hydroxyanilinium perchlorate (abbreviated as ...

FT-Raman, FT-IR spectral and DFT studies on (E)-1-4-nitrobenzylidenethiocarbonohydrazide

Thanikachalam, V.; Periyanayagasamy, V.; Jayabharathi, J.; Manikandan, G.; Saleem, H.; Subashchandrabose, S.; Erdogdu, Y. (PERGAMON-ELSEVIER SCIENCE LTD, 2012)

Quantum mechanical calculation of optimized parameters, vibrational wavenumbers and energies of (E)-1-4-nitrobenzylidenethiocarbonohydrazide ((E)-1-4-NBTCH) was carried out using Hatree Fock (HF) with 6-31G(d,p), 6-311G(d,p) ...

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 ...

Infrared and Raman spectra, vibrational assignment, NBO analysis and DFT calculations of 6-aminoflavone

Erdogdu, Y.; Unsalan, O.; Amalanathan, M.; Joe, I. Hubert (ELSEVIER SCIENCE BV, 2010)

In this study, the experimental and theoretical study on the FT-infrared and FT-Raman spectra of 6-aminoflavone (6AF) are presented. The FT-IR (4000-400 cm(-1)) and FT-Raman (3500-50 cm(-1)) spectral measurements of solid ...

Vibrational spectra, structural conformations, scaled quantum chemical calculations and NBO analysis of 3-acetyl-7-methoxycoumarin

Joseph, Lynnette; Sajan, D.; Reshmy, R.; Sasi, B. S. Arun; Erdogdu, Y.; Thomas, K. Kurien (PERGAMON-ELSEVIER SCIENCE LTD, 2012)

The powder form NIR-FT Raman and FT-IR spectra of 3-acetyl-7-methoxycoumarin (3A7MC) have been recorded in the regions 4000-400 and 3500-100 cm(-1), respectively. The equilibrium geometry, vibrational frequencies, band ...

Structural and vibrational studies on (E)-2-(2-hydroxy benzyliden amino)-3-phenyl propionic acid using experimental and DFT methods

Saleem, H.; Erdogdu, Y.; Subashchandrabose, S.; Thanikachalam, V.; Jayabharathi, J.; Babu, N. Ramesh (ELSEVIER SCIENCE BV, 2012)

The structural and spectroscopic properties of (E)-2-(2-hydroxy benzyliden amino)-3-phenyl propionic acid ((E)-2-HBAPPA) has been investigated by using theoretical and experimental methods. Using the computational studies ...