Browsing by Author "Sayin, Koray"
Now showing items 21-40 of 47
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Investigations of structural, spectral and electronic properties of enrofloxacin and boron complexes via quantumchemical calculation and molecular docking
Sayin, Koray; Ungordu, Ayhan (PERGAMON-ELSEVIER SCIENCE LTD, 2019)Quantum chemical analyses were performed over enrofloxacin and boron complexes. The most stable isomer of enrofloxacin was examined at M062X/6-31+ G(d) level in gas phase. Structural and spectral characterizations of ... -
Investigations of structural, spectral, electronic and biological properties of N-heterocyclic carbene Ag(I) and Pd(II) complexes
Sayin, Koray; Kariper, Sultan Erkan; Tastan, Merve; Sayin, Tuba Alagoz; Karakas, Duran (ELSEVIER SCIENCE BV, 2019)Computational analyses of two Ag(I) and two Pd(II) complexes were done. Benchmark analyses were performed to obtain the most appropriate calculation level for studied complexes. HF, B3LYP and M062 x method were selected ... -
Investigations over optical properties of boron complexes of benzothiazolines
Tuzun, Burak; Sayin, Koray (PERGAMON-ELSEVIER SCIENCE LTD, 2019)Quantum chemical analyses over benzothiazolines and their boron complexes are performed. In calculations, M06-2X method was selected with 6-31 + G(d,p) level. Structural and spectral (IR and NMR) characterization of studied ... -
New diazo-containing phenolic oximes: structural characterization, computational studies, and solvent extraction of Cu(II), Ni(II), and Zn(II) ions
Karabork, Muharrem; Kirpik, Hilal; Sayin, Koray; Kose, Muhammet (SCIENTIFIC TECHNICAL RESEARCH COUNCIL TURKEY-TUBITAK, 2019)In the current study, four new phenolic oxime ligands (HL1ox-HL4ox) containing diazo groups (-N=N-) were synthesized and used for liquid-liquid extraction of heavy metal ions [Cu(II), Ni(II), and Zn(II)]. The new compounds ... -
New fluorescent azo-Schiff base Cu(II) and Zn(II) metal chelates; spectral, structural, electrochemical, photoluminescence and computational studies
Purtas, Fatih; Sayin, Koray; Ceyhan, Gokhan; Kose, Muhammet; Kurtoglu, Mukerrem (ELSEVIER SCIENCE BV, 2017)A new Schiff base containing azo chromophore group obtained by condensation of 2-hydroxy-4-[(E)phenyldiazenyl]benzaldehyde with 3,4-dimethylaniline (HL) are used for the syntheses of new copper(II) and zinc(II) chelates, ... -
A novel azo-aldehyde and its Ni(II) chelate; synthesis, characterization, crystal structure and computational studies of 2-hydroxy-5-{(E)-[4-(propan-2-yl)phenyl]diazenyl}benzaldehyde
Eren, Tugba; Kose, Muhammet; Sayin, Koray; McKee, Vickie; Kurtoglu, Mukerrem (ELSEVIER SCIENCE BV, 2014)A novel azo-salicylaldeyde, 2-hydroxy-5-{(E)-[4-(propan-2-yl)phenyl]diazenyl} benzaldehyde and its Ni(II) chelate were obtained and characterized by analytical and spectral techniques. Molecular structure of the azo ... -
A novel azo-azomethine based fluorescent dye and its Co(II) and Cu(II) metal chelates
Kurtoglu, Gulbahar; Avar, Baris; Zengin, Huseyin; Kose, Muhammet; Sayin, Koray; Kurtoglu, Mukerrem (ELSEVIER SCIENCE BV, 2014)Cobalt(II) and copper(II) complexes of a novel Schiff base ligand containing two -N=N- chromophore groups, derived from the condensation of 2-hydroxy-5-[(E)-phenyldiazenyl]benzaldehyde with p-aminoazobenzene were synthesized ... -
Pd(II) complexes of novel phosphine ligands: Synthesis, characterization, and catalytic activities on Heck reaction
Altan, Orhan; Serindag, Osman; Sayin, Koray; Karakas, Duran (TAYLOR & FRANCIS LTD, 2016)Novel phosphine oxides, (((3-methylpyridin-2-yl)amino)methyl)diphenylphosphine oxide (1) and diphenyl((pyrazin-2-ylamino)methyl)phosphine oxide (2), were synthesized and characterized. Phosphines ligands (3 and 4) were ... -
Preparation, spectral, X-ray powder diffraction and computational studies and genotoxic properties of new azo-azomethine metal chelates
Bitmez, Sirin; Sayin, Koray; Avar, Baris; Kose, Muhammet; Kayraldiz, Ahmet; Kurtoglu, Mukerrem (ELSEVIER SCIENCE BV, 2014)A new tridentate azo-azomethine ligand, N'-[{2-hydroxy-5-[(4-nitrophenyl)diazenyl]phenl}methylidene]benzohydrazidemonohydrate, (sbH center dot H2O) (1), is prepared by condensation of benzohydrazide and 2-hydroxy-5-[(4-n ... -
Quantum chemical investigation of levofloxacin-boron complexes: A computational approach
Sayin, Koray; Karakas, Duran (ELSEVIER SCIENCE BV, 2018)Quantum chemical calculations are performed over some boron complexes with levofloxacin. Boron complex with fluorine atoms are optimized at three different methods (HF, B3LYP and M062X) with 6-31 + G(d) basis set. The best ... -
Quantum chemical studies on the some inorganic corrosion inhibitors
Sayin, Koray; Karakas, Duran (PERGAMON-ELSEVIER SCIENCE LTD, 2013)Some quantum chemical parameters were calculated by using Hartree-Fock (HF) approximation, Density Functional Theory (DFT/B3LYP) and Moller Plesset perturbation theory (MP3) methods at LANL2DZ, LANL2MB and SOD levels in ... -
Research of the substituent effect on non-linear optical properties of bis (difluoroboron)-1,2-bis((1H-pyrrol-2-yl)methylene)hydrazine (BOPHY) derivatives: Molecular simulation analyses
Sayin, Koray (PERGAMON-ELSEVIER SCIENCE LTD, 2019)Modelling studies of bis(difluoroboron)-1,2-bis( (1H-pyrrol-2-yl)methylene)hydrazine (BOPHY) derivatives were completed at M06-2X/6-31+G(d) level in vacuo. Structural properties (geometric structure, bond lengths and ... -
Sev and pcu topological nets in one-pot newly synthesized mixed-ligand imidazole-containing Cu(II) coordination frameworks: Crystal structure, intermolecular interactions, theoretical calculations, magnetic behavior and biological activity
Direm, Amani; Abdelbaky, Mohammed S. M.; Sayin, Koray; Cornia, Andrea; Abosede, Olufunso; Garcia-Granda, Santiago (ELSEVIER SCIENCE SA, 2018)Novel mixed-ligand coordination frameworks, occurring concomitantly namely [Cu(Im)(3)(H(2)Cit)] (1) and [Cu(Im)(2)(HCit)]center dot HIm (2) (with Im = imidazole and H(4)Cit = citric acid) were obtained as a result of the ... -
Spectroscopic investigation, FMOs and NLO analyses of Zn(II) and Ni(II) phenanthroline complexes: A DFT approach
Sayin, Koray; Karaka, Duran; Karakus, Nihat; Sayin, Tuba Alagoz; Zaim, Zinet; Kariper, Sultan Erkan (PERGAMON-ELSEVIER SCIENCE LTD, 2015)Computational studies were carried out on three Zn(II) and three Ni(II) complexes, namely [NiL1(phen)(2)], [ZnL1(phen)(2)], [NiL2(phen)(2)], [ZnL2(phen)(2)], [NiL3(phen)(2)] and [ZnL3(phen)(2)]. These complexes were ... -
Structural, spectral, NLO and MEP analysis. of the [MgO2Ti2(OPri)(6)], [MgO2Ti2(OPri)(2)(acac)(4)] and [MgO2Ti2(OPri)(2)(bzac)(4)] by DFT method
Sayin, Koray; Karakas, Duran (PERGAMON-ELSEVIER SCIENCE LTD, 2015)Quantum chemical calculations are performed on [MgO2Ti2(OPri)(6)] and [MgO2Ti2(OPri)(2)(L)(4)] complexes. L is acetylacetonate (acac) and benzoylacetonate (bzac) anion. The crystal structures of these complexes have not ... -
A Study of New benzo[d]thiazol Derivatives as Corrosion Inhibitors for Steel AISI 1035 in Acidic
Jafari, Hojat; Mohsentfar, Farhad; Sayin, Koray (UNIV MOHAMMED PREMIER OUJDA, 2019)Benzo[d]thiazol-2-ol (BAT), benzo[d]thiazol-2-amine (4-BAT) and benzo[d]thiazol-2-thiol (2-BAT) were prepared and evaluated as corrosion inhibitors for AISI 1035 steel in 1 M HCl. It is found that 4-BAT functions as more ... -
Sulfur Containing Compounds as Corrosion Inhibitors for Mild Steel in Hydrochloric Acid Solution
Jafari, Hojat; Sayin, Koray (SPRINGER INDIA, 2016)The role of Sulfur containing compounds namely: Thiobarbituric acid (TBA) and Thiourea (TH) as corrosion inhibitors for mild steel in 1 M HCl has been studied using potentiodynamic anodic polarization, electrochemical ... -
Synthesis and characterization of Co(II), Ni(II), Cu(II) and Zn(II) complexes with a new homopiperazine macrocyclic Schiff base ligand
Keypour, Hassan; Rezaeivala, Majid; Mirzaei-Monsef, Misagh; Sayin, Koray; Dilek, Nefise; Unver, Huseyin (ELSEVIER SCIENCE SA, 2015)A new macrocyclic Schiff-base ligand, L, was synthesized by condensation reaction of 1,4-bis(2-formylphenyl) homopiperazine and 1,3-diaminopropane in acetonitrile. The Schiff-base ligand was characterized by using elemental ... -
Synthesis of novel 1,10-phenanthroline derivatives and it used as probes for sensitive detection of Zn2+ and Cd2+ metal ions - Spectroscopic and theoretical approach
Satheeshkumar, Rajendran; Rajamanikandan, Ramar; Ilanchelian, Malaichamy; Sayin, Koray; Prasad, Karnam Jayarampillai Rajendra (PERGAMON-ELSEVIER SCIENCE LTD, 2019)A novel class of unexpected 1,10-phenanthrolinederivatives were synthesized from 2,3-dihydroacridin-4(111)ones with 3-aminonaphthalen-2-carboxylic acid in presence of phosphorus oxychloride at 130 degrees C and simple ...