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Browsing by Author "Başoğlu, Adil"

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4-Aminomorfolin molekülünün titreşim frekanslarının incelenmesi

Başoğlu, Adil (Sakarya Üniversitesi, 2002)

ÖZET Anahtar kelimeler: Titreşim spektroskopisi, kırmızı-ötesi spektroskopisi, FTIR spektrometresi, grup teori, ligand, 4-aminomorfolin. Bu çalışmada 4-Aminomorfolin (C4H10N2O) molekülünün kırmızı-ötesi titreşim frekansları ...
4-Fenil-1, 3-Oksazolidin- 2-On ile kükürtlü analoglarının geometrik, optik ve titreşim özelliklerinin teorik olarak incelenmesi

Başoğlu, Adil (Sakarya Üniversitesi, 2009)

Bu çalışmada (R)/(rac)-4-fenil-1,3-oksazolidin-2-on ile bu molekülün diğer kükürtlü analoglarının kararlı durumdaki geometrik yapı parametreleri, infrared bölgesindeki titreşim frekansları ve optiksel sabitleri Hartree-Fock ...
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 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 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 ...
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 ...
Copper(II) complex with 6-methylpyridine-2-carboxyclic acid: Experimental and computational study on the XRD, FT-IR and UV-Vis spectra, refractive index, band gap and NLO parameters

Sumeyye Alturk; Avcı, Davut; Başoğlu, Adil; Tamer, Ömer; Atalay, Yusuf; Necmi Dege (PERGAMON-ELSEVIER SCIENCE LTD, 2018)

Crystal structure of the synthesized copper(II) complex with 6-methylpyridine-2-carboxylic acid, [Cu(6-Mepic)(2)center dot H2O], H2O, was determined by XRD, FT-IR and UV-Vis spectroscopic techniques. Furthermore, the ...
Density Functional Theory and ab initio Hartree-Fock Calculations of Molecular Structure and Vibrational Spectra of Anilinium Nitrate

Avcı, Davut; Başoğlu, Adil; Atalay, Yusuf (WALTER DE GRUYTER GMBH, 2008)

The molecular geometry, vibrational frequencies, infrared intensities, Raman scattering activities and several thermodynamic parameters of anilinium nitrate in the ground state have been calculated by both Hartree-Fock ...
Determination and analysis of the dispersive optical constants of the 5,5',6,6'-tetraphenyl-2,2'-bi([1,3]dithiolo[4,5-b][1,4]dithiinylidene)-DDQ complex thin film

Atalay, Yusuf; Başoğlu, Adil; Avcı, Davut; Arslan, Mustafa (ELSEVIER SCIENCE BV, 2008)

The synthesis and optical properties of the 5,5',6,6'-tetraphenyl-2,2'-bi([1,3]dithiolo [4,5-b] [1,4]dithiinylidene)-2,3-dichloro-5, 6-dicyano-p-benzoquinone (DDQ) complex thin film were investigated by the optical ...
Determination and analysis of the dispersive optical constants of the 5,5',6,6'-tetraphenyl-2,2'-bi([1,3]dithiolo[4,5-b][1,4]dithiinylidene)-DDQ complex thin film

Atalay, Yusuf; Başoğlu, Adil; Avcı, Davut; Arslan, Mustafa (ELSEVIER SCIENCE BV, 2008)

The synthesis and optical properties of the 5,5',6,6'-tetraphenyl-2,2'-bi([1,3]dithiolo [4,5-b] [1,4]dithiinylidene)-2,3-dichloro-5, 6-dicyano-p-benzoquinone (DDQ) complex thin film were investigated by the optical ...
Effect of Se content on the structural, morphological and optical properties of Bi2Te3-ySey thin films electrodeposited by under potential deposition technique

Ilkay Sisman; Şişman, İlkay; Adil Basoglu; Başoğlu, Adil (ELSEVIER SCI LTD, 2016)

Bi2Te3-ySey thin films with different Se contents ranging from 0.3 to 2.5 were successfully electrodeposited by under potential deposition (UPD) technique onto gold foil substrates from an electrolyte consist of Bi(NO3)(3), ...
Effect of Se content on the structural, morphological and optical properties of Bi2Te3-ySey thin films electrodeposited by under potential deposition technique

Şişman, İlkay; Şişman, İlkay; Başoğlu, Adil; Başoğlu, Adil (ELSEVIER SCI LTD, 2016)

Bi2Te3-ySey thin films with different Se contents ranging from 0.3 to 2.5 were successfully electrodeposited by under potential deposition (UPD) technique onto gold foil substrates from an electrolyte consist of Bi(NO3)(3), ...
Effects of Different Basis Sets and Donor-Acceptor Groups on Linear and Second-Order Nonlinear Optical Properties and Molecular Frontier Orbital Energies

Avcı, Davut; Başoğlu, Adil; Atalay, Yusuf (WILEY-BLACKWELL, 2011)

The calculation of molecular hyperpolarizability, molecular frontier orbital energies of some donor-acceptor oxadiazoles (5a-f, 8a-f, and 9a-f) have been investigated using ab initio methods and different basis sets. Ab ...
Linear and non-linear optical properties of some donor-acceptor oxadiazoles by ab initio Hartree-Fock calculations

Atalay, Yusuf; Avcı, Davut; Başoğlu, Adil (SPRINGER/PLENUM PUBLISHERS, 2008)

The molecular hyperpolarizability of some donor-acceptor oxadiazoles was investigated using ab initio methods. Ab initio optimizations were performed at the Hartree-Fock level using different basis sets, starting with the ...
Molecular structure and vibrational spectra of melamine diborate by density functional theory and ab initio Hartree-Fock calculations

Atalay, Yusuf; Avcı, Davut; Başoğlu, Adil; Okur, İbrahim (ELSEVIER SCIENCE BV, 2005)

The molecular geometry-and vibrational frequencies of melamine diborate in the ground state have been calculated using the Hartree-Fock and density functional methods (B3LYP) with 6-31G(d) basis set. The optimized geometric ...
Molecular structure and vibrational spectra of N-mesylhydroxylamin and N-mesyl-0-methylhydroxylamin by density functional theory and ab initio Hartree-Fock calculations

Atalay, Yusuf; Avcı, Davut; Başoğlu, Adil; Öztürk, Ali (ELSEVIER SCIENCE BV, 2005)

The molecular geometry and vibrational frequencies of N-mesylhydroxylamin (N-MHN) and N-mesyl-O-methylhydroxylamin (N-MMHN) in the ground state have been calculated using the Hartree-Fock and density functional method ...
Molecular structure and vibrational spectra of N-mesylhydroxylamin and N-mesyl-0-methylhydroxylamin by density functional theory and ab initio Hartree-Fock calculations

Atalay, Yusuf; Avcı, Davut; Başoğlu, Adil; Öztürk, Ali (ELSEVIER SCIENCE BV, 2005)

The molecular geometry and vibrational frequencies of N-mesylhydroxylamin (N-MHN) and N-mesyl-O-methylhydroxylamin (N-MMHN) in the ground state have been calculated using the Hartree-Fock and density functional method ...
Molecular structure, IR and NMR spectra of 2,6 distyrylpyridine by density functional theory and ab initio Hartree-Fock calculations

Atalay, Yusuf; Başoğlu, Adil; Avcı, Davut (PERGAMON-ELSEVIER SCIENCE LTD, 2008)

Vibrational frequencies and gauge including atomic orbital (GIAO) C-13 NMR and H-1 NMR chemical shift values of 2,6 distyrylpyridine (C21H17N) in the ground state have been calculated by using the Hartree-Fock (HF) and ...