Browsing by Author "Cinar, Mehmet"

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Determination of structural, spectrometric and nonlinear optical features of 2-(4-hydroxyphenylazo)benzoic acid by experimental techniques and quantum chemical calculations

Cinar, Mehmet; Yildiz, Nihat; Karabacak, Mehmet; Kurt, Mustafa (PERGAMON-ELSEVIER SCIENCE LTD, 2013)

The optimized geometrical structure, vibrational and electronic transitions, chemical shifts and nonlinear optical properties of 2-(4-hydroxyphenylazo)benzoic acid (HABA) compound were presented in this study. The ground ...
DFT based computational study on the molecular conformation, NMR chemical shifts and vibrational transitions for N-(2-methylphenyl) methanesulfonamide and N-(3-methylphenyl) methanesulfonamide

Karabacak, Mehmet; Cinar, Mehmet; Kurt, Mustafa (ELSEVIER SCIENCE BV, 2010)

This paper presents a DFT quantum chemical investigation of the molecular conformation, NMR chemical shifts and vibrational transitions of N-(2-methylphenyl)methanesulfonamide and N-(3-methylphenyl)methanesulfonamide ...
Experimental (UV, NMR, IR and Raman) and theoretical spectroscopic properties of 2-chloro-6-methylaniline

Karabacak, Mehmet; Kurt, Mustafa; Cinar, Mehmet; Coruh, Ali (TAYLOR & FRANCIS LTD, 2009)

In this work, the experimental and theoretical UV, NMR and vibrational spectra of 2-chloro-6-methylaniline (2-Cl-6-MA, C7H8NCl) were studied. The ultraviolet absorption spectra of compound that dissolved in ethanol were ...
An experimental and theoretical study of molecular structure and vibrational spectra of 2-chloronicotinic acid by density functional theory and ab initio Hartree-Fock calculations

Karabacak, Mehmet; Cinar, Mehmet; Kurt, Mustafa (ELSEVIER SCIENCE BV, 2008)

In this work, the Fourier transform Raman and Fourier transform infrared spectra of 2-chloronicotinic acid (2-CNA) are recorded in the solid phase. The molecular geometry, vibrational frequencies, infrared intensities and ...
Experimental vibrational spectra (Raman, infrared) and DFT calculations on monomeric and dimeric structures of 2-and 6-bromonicotinic acid

Karabacak, Mehmet; Cinar, Mehmet; Ermec, Sahin; Kurt, Mustafa (JOHN WILEY & SONS LTD, 2010)

In this work, the Fourier transform infrared and Raman spectra of 2-bromonicotinic acid and 6-bromonicotinic acid (abbreviated as 2-BrNA and 6-BrNA, C(6)H(4)BrNO(2)) have been recorded in the region 4000-400 and 3500-50 ...
FT-IR, UV spectroscopic and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 2-aminoterephthalic acid

Karabacak, Mehmet; Cinar, Mehmet; Unal, Zeliha; Kurt, Mustafa (ELSEVIER SCIENCE BV, 2010)

In this work, the molecular conformation, vibrational and electronic analysis of 2-aminoterephthalic acid are presented for the ground state using FT-IR experimental technique and density functional theory (DFT) employing ...
Molecular structure and vibrational assignments of hippuric acid: A detailed density functional theoretical study

Karabacak, Mehmet; Cinar, Mehmet; Kurt, Mustafa (PERGAMON-ELSEVIER SCIENCE LTD, 2009)

In this study, the structural properties of hippuric acid (C(9)H(9)NO(3), HA) were studied using density functional theory (DFT) employing B3LYP exchange correlation. The geometry of the molecule was fully optimized at ...
Synthesis, molecular conformation, vibrational, electronic transition, and chemical shift assignments of 4-(thiophene-3-ylmethoxy)phthalonitrile: a combined experimental and theoretical analysis

Coruh, Ali; Yilmaz, Faruk; Sengez, Busra; Kurt, Mustafa; Cinar, Mehmet; Karabacak, Mehmet (SPRINGER/PLENUM PUBLISHERS, 2011)

This work presents the synthesis and characterization of a novel compound, 4-(thiophene-3-ylmethoxy)phthalonitrile (TMP). The spectroscopic properties of the compound were examined by FT-IR, FT-Raman, NMR, and UV techniques. ...
Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C6H4SO2NH2 (X = Cl, Br or F)

Karabacak, Mehmet; Cinar, Mehmet; Coruh, Ali; Kurt, Mustafa (ELSEVIER SCIENCE BV, 2009)

In the present study, the structural properties of para-halogen benzenesulfonamides, 4-XC6H4SO2NH2 (4-chlorobenzenesulfonamicle (I). 4-bromobenzenesulfonamide (II) and 4-fluorobenzenesulfonamide (III)) have been studied ...
X-ray, FT-Raman, FT-IR spectra and ab initio HF, DFT calculations of 2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl methacrylate

Karabacak, Mehmet; Sahin, Ertan; Cinar, Mehmet; Erol, Ibrahim; Kurt, Mustafa (ELSEVIER SCIENCE BV, 2008)

Molecular structure of methacrylate monomer, 2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl methacrylate (IAOEMA) was determined by X-ray diffraction analysis. The molecule (IAOEMA) crystallizes in monoclinic, space group ...

Browsing by Author "Cinar, Mehmet"

Determination of structural, spectrometric and nonlinear optical features of 2-(4-hydroxyphenylazo)benzoic acid by experimental techniques and quantum chemical calculations ﻿

DFT based computational study on the molecular conformation, NMR chemical shifts and vibrational transitions for N-(2-methylphenyl) methanesulfonamide and N-(3-methylphenyl) methanesulfonamide ﻿

Experimental (UV, NMR, IR and Raman) and theoretical spectroscopic properties of 2-chloro-6-methylaniline ﻿

An experimental and theoretical study of molecular structure and vibrational spectra of 2-chloronicotinic acid by density functional theory and ab initio Hartree-Fock calculations ﻿

Experimental vibrational spectra (Raman, infrared) and DFT calculations on monomeric and dimeric structures of 2-and 6-bromonicotinic acid ﻿

FT-IR, UV spectroscopic and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 2-aminoterephthalic acid ﻿

Molecular structure and vibrational assignments of hippuric acid: A detailed density functional theoretical study ﻿

Synthesis, molecular conformation, vibrational, electronic transition, and chemical shift assignments of 4-(thiophene-3-ylmethoxy)phthalonitrile: a combined experimental and theoretical analysis ﻿

Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C6H4SO2NH2 (X = Cl, Br or F) ﻿

X-ray, FT-Raman, FT-IR spectra and ab initio HF, DFT calculations of 2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl methacrylate ﻿

Determination of structural, spectrometric and nonlinear optical features of 2-(4-hydroxyphenylazo)benzoic acid by experimental techniques and quantum chemical calculations

DFT based computational study on the molecular conformation, NMR chemical shifts and vibrational transitions for N-(2-methylphenyl) methanesulfonamide and N-(3-methylphenyl) methanesulfonamide

Experimental (UV, NMR, IR and Raman) and theoretical spectroscopic properties of 2-chloro-6-methylaniline

An experimental and theoretical study of molecular structure and vibrational spectra of 2-chloronicotinic acid by density functional theory and ab initio Hartree-Fock calculations

Experimental vibrational spectra (Raman, infrared) and DFT calculations on monomeric and dimeric structures of 2-and 6-bromonicotinic acid

FT-IR, UV spectroscopic and DFT quantum chemical study on the molecular conformation, vibrational and electronic transitions of 2-aminoterephthalic acid

Molecular structure and vibrational assignments of hippuric acid: A detailed density functional theoretical study

Synthesis, molecular conformation, vibrational, electronic transition, and chemical shift assignments of 4-(thiophene-3-ylmethoxy)phthalonitrile: a combined experimental and theoretical analysis

Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C6H4SO2NH2 (X = Cl, Br or F)

X-ray, FT-Raman, FT-IR spectra and ab initio HF, DFT calculations of 2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl methacrylate