Browsing Fen-Edebiyat Fakültesi by Author "Atalay, Yusuf"

Now showing items 1-20 of 126

1-Pentamethylbenzyl-3-(n)buthylbenzimidazolesilver(I)bromide complex: Synthesis, characterization and DFT calculations

Tamer, Ömer; Avcı, Davut; Atalay, Yusuf (PERGAMON-ELSEVIER SCIENCE LTD, 2014)

A novel NHC complex of silver(I) ion, 1-pentamethylbenzyl-3-(n)buthylbenzimidazolesilver(I)bromide, was prepared and fully characterized by single crystal X-ray structure determination. FT-IR, NMR and UV-vis spectroscopies ...
1H-pyrazole-3-carboxylic acid: Experimental and computational study

Sumeyye Alturk; Avcı, Davut; Tamer, Ömer; Atalay, Yusuf (ELSEVIER, 2018)

The FT-IR and UV-Vis spectra for 1H-pyrazole-3-carboxylic acid (H(2)pc) were recorded in methanol solvent. The optimized molecular structure, vibrational frequencies and NMR chemical shifts of the title molecule in methanol ...
5-Methyl-2-thiophenecarboxaldehyde: Experimental and TD/DFT study

Avcı, Davut; Tamer, Ömer; Başoğlu, Adil; Atalay, Yusuf (ELSEVIER SCIENCE BV, 2018)

The 5-Methyl-2-thiophenecarboxaldehyde (MTC) and its derivatives present a wide range of biological activities. In this regard a combined experimental and theoretical analysis for MTC and its derivatives can help to ...
A cobalt (II) complex with 6-methylpicolinate: Synthesis, characterization, second- and third-order nonlinear optical properties, and DFT calculations

Sumeyye Alturk; Avcı, Davut; Tamer, Ömer; Atalay, Yusuf; Onur Sahin (PERGAMON-ELSEVIER SCIENCE LTD, 2016)

A cobalt(II) complex of 6-methylpicolinic acid, [Co(6-Mepic)(2)(H2O)(2)]center dot 2H(2)O, was prepared and fully determined by single crystal X-ray crystal structure analysis as well as FT-IR, FT-Raman. UV-vis spectra ...
A new dinuclear copper (II) complex of 2,5-Furandicarboxyclic acid with 4(5)-Methylimidazole as a high potential alpha-glucosidase inhibitor: Synthesis, Crystal structure, Cytotoxicity study, and TD/DFT calculations

Avcı, Davut; Sumeyye Alturk; Fatih Sonmez; Tamer, Ömer; Başoğlu, Adil; Atalay, Yusuf; Belma Zengin Kurt; Dilek Ozturk; Necmi Dege (WILEY, 2019)

A new dinuclear copper (II) complex of 2,5-furandicarboxyclic acid with 4(5)-methylimidazole, [Cu (FDCA)((4(5)MeI)(2)](2)center dot 2H(2)O, was synthesized, and its structure characterized by XRD, FT-IR and UV-Vis spectroscopic ...
A novel Cu(II) Complex of Picolinate and 1,10-Phenanthroline: Preparation, Crystal Structure Determination, Spectroscopic Characterization and Nonlinear Optical Studies

Tamer, Ömer; Avcı, Davut; Atalay, Yusuf (SPRINGER, 2017)

A newly synthesized copper (II) complex of picolinic acid (also known as 2-pyridinecarboxylic acid) and 1,10-phenanthroline, [Cu(pic)(2)(phen)]center dot H2O, has been prepared, and its crystal structure has been fully ...
A novel series of M(II) complexes of 6-methylpyridine-2-carboxylic acid with 4(5)methylimidazole: Synthesis, crystal structures, alpha-glucosidase activity, density functional theory calculations and molecular docking

Avcı, Davut; Suemeyye Alturk; Fatih Sonmez; Tamer, Ömer; Başoğlu, Adil; Atalay, Yusuf; Belma Zengin Kurt; Necmi Dege (WILEY, 2019)

Novel complexes of 6-methylpyridine-2-carboxylic acid and 4(5)methylimidazole, namely [Mn(6-mpa)(2)(4(5)MeI)(2)] (1), [Zn(6-mpa)(2)(4(5)MeI)(2)] (2), [Cd(6-mpa)(2)(4(5)MeI)(2)] (3), [Co(6-mpa)(2)(4(5)MeI)(2)] (4), ...
A novel series of mixed-ligand M(II) complexes containing 2,2 '-bipyridyl as potent alpha-glucosidase inhibitor: synthesis, crystal structure, DFT calculations, and molecular docking

Avcı, Davut; Sumeyye Alturk; Fatih Sonmez; Tamer, Ömer; Başoğlu, Adil; Atalay, Yusuf; Belma Zengin Kurt; Necmi Dege (SPRINGER, 2019)

Diabetes mellitus (DM) is a common degenerative disease and characterized by high blood glucose levels. Since the effective antidiabetic treatments attempt to decrease blood glucose levels, keeping glucose under control ...
A theoretical study on 1-(thiophen-2-yl-methyl)-2-(thiophen-2-yl)-1H-benzimidazole

Atalay, Yusuf; Avcı, Davut; Başoğlu, Adil (PERGAMON-ELSEVIER SCIENCE LTD, 2007)

The molecular geometry and vibrational frequencies of 1-(thiophen-2-yl-methyl)-2-(thiophen-2-yl)-1H-benzimidazole (C16H12N2S2) in the ground state has been calculated using the Hartree-Fock (HF) and density functional ...
A theoretical study on 2-chloro-5-(2-hydroxyethyl)-4-methoxy-6-methylpyrimidine by DFT/ab initio calculations

Hacer Pir Gumus; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf (DE GRUYTER OPEN LTD, 2015)

Quantum chemical calculations have been performed to study the molecular geometry, H-1 and C-13 NMR chemical shifts, conformational, natural bond orbital (NBO) and nonlinear optical (NLO) properties of the 2-chloro-5-(2- ...
A THEORETICAL STUDY ON A CHIRAL COORDINATION OF SILVER(I) WITH SACCHARINATE AND PYRIDINE [Ag(sac)(py)]

Avcı, Davut; Atalay, Yusuf; Çelik, Tülay (SPRINGER HEIDELBERG, 2010)

The molecular geometry, the normal mode frequencies, and corresponding vibrational assignments of chiral coordination monomer silver(I) with saccharinate and pyridine [Ag(sac)(py)] in the ground state were performed by HF ...
A Theoretical Study on N '-[(Z)-(4-Methylphenyl)Methylidene]-4-Nitrobenzohydrazide (NMPMN)

Muhammet Okur; Nazmiye Albayrak; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf (SPRINGER, 2018)

Quantum mechanical calculations of ground state energy, vibration wavenumbers, and electronic absorption wavelengths of N '-[(Z)-(4-methylphenyl)methylidene]-4-nitrobenzohydrazide with C15H13N3O3 empirical formula was ...
A theoretical study on N-phenyl-N '-(2-thienylmethylene)hydrazine

Atalay, Yusuf (PERGAMON-ELSEVIER SCIENCE LTD, 2007)

The molecular geometry and vibrational frequencies of N-phenyl-AP-(2-thienyimethylene)hydrazine (C11H10N2S) have been calculated using Hartree-Fock and density functional method (B3LYP) with 6-31G(d) basis set. The optimized ...
A theoretical study on structural, spectroscopic, electronic and electric properties of 4-chloro 4-nitrostilbene

Tamer, Ömer; Avcı, Davut; C. Arioglu; A. Basoslu; Atalay, Yusuf (INDIAN ASSOC CULTIVATION SCIENCE, 2015)

Organic crystals based on the donor and acceptor conjugated system display excellent nonlinear optical properties. In this study, nonlinear optical single crystal 4-chloro 4-nitrostilbene has been modeled on the basis of ...
A Theoretical Study on Structural, Spectroscopic, Electronic and Nonlinear Optical Properties of 1-[(E)-{[4-(Morpholin-4-Yl)Phenyl]Imino}Methyl]Naphthalen-2-Ol

Hacer Pir Gumus; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf; Erdogan Tarcan (SPRINGER, 2016)

Density functional theory calculations on ground state molecular geometry, stable conformers, and vibrational wavenumbers for 1-[(E)-{[4-(morpholin-4-yl)phenyl]imino}methyl]naphthalen-2-ol (MPIMN) molecule were performed ...
Ab initio calculation of the molecular structure and vibration frequencies of carbonate ions coordinated to calcium ions in the zeolite CaA by Hartree-Fock methods

Atalay, Yusuf (WALTER DE GRUYTER GMBH, 2005)

The molecular structures and vibration frequencies of unidentate and bidentate coordinations of carbonate ions to calcium ions in the zeolite CaA have been investigated, using the Hartree-Fock method implementing 6-31 G ...
Ab initio Hartree-Fock calculations on linear and second-order nonlinear optical properties of new acridine-benzothiazolylamine chromophores

Avcı, Davut; Atalay, Yusuf; Cömert, Hüseyin (SPRINGER, 2008)

The calculation of optimized molecular structure and molecular hyperpolarizability of four new acridine-benzothiazolylamine chromophores (1-4) [2-nitro-6-(piperid-1-yl) acridine (1), 6-(benzothiazol-2-yl-amino)-2-nitro-acridine ...
Ab initio HF and DFT calculations on an organic non-linear optical material

Avcı, Davut; Başoğlu, Adil; Atalay, Yusuf (SPRINGER/PLENUM PUBLISHERS, 2010)

The molecular geometric optimization, vibrational frequencies, and gauge-including atomic orbital (GIAO) (1)H and (13)C chemical shift values of 3-[(1E)-N-ethylethanimidoyl]-4-hydroxy-6-methyl-2H-pyran-2-one have been ...
Aldehyde Substituted Phthalocyanines: Synthesis, Characterization and Investigation of Photophysical and Photochemical Properties

Pinar Sen; Yıldız, Salih Zeki; Ali Erdogmus; Necmi Dege; Atalay, Yusuf (SPRINGER/PLENUM PUBLISHERS, 2016)

The new free and nickel phthalocyanine derivatives, tetrakis [(2-formylphenoxy)-phthalocyanine (4), tetrakis [(2-formylphenoxy)-phthalocyaninato]nickel(II) (5) have been synthesized via de-protection of tetra acetal-substituted ...
Aldehyde Substituted Phthalocyanines: Synthesis, Characterization and Investigation of Photophysical and Photochemical Properties

Pinar Sen; Yıldız, Salih Zeki; Ali Erdogmus; Necmi Dege; Atalay, Yusuf (SPRINGER/PLENUM PUBLISHERS, 2016)

The new free and nickel phthalocyanine derivatives, tetrakis [(2-formylphenoxy)-phthalocyanine (4), tetrakis [(2-formylphenoxy)-phthalocyaninato]nickel(II) (5) have been synthesized via de-protection of tetra acetal-substituted ...