Browsing by Author "Kariper, Sultan Erkan"
Now showing items 1-9 of 9
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Computational study of some fluoroquinolones: Structural, spectral and docking investigations
Sayin, Koray; Karakas, Duran; Kariper, Sultan Erkan; Sayin, Tuba Alagoz (ELSEVIER SCIENCE BV, 2018)Quantum chemical calculations are performed over norfioxacin, tosufloxacin and levofloxacin. The most stable structures for each molecule are determined by thermodynamic parameters. Then the best level for calculations is ... -
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 ... -
Multi-properties of a new azo-Schiff base and its binuclear copper(II) chelate: Preparation, spectral characterization, electrochemical, potentiometric and modeling studies
Sarigul, Munire; Kariper, Sultan Erkan; Deveci, Pervin; Atabey, Hasan; Karakas, Duran; Kurtoglu, Mukerrem (ELSEVIER SCIENCE BV, 2017)In this study, chromophore group containing a new Schiff base ligand 2-{(E)-[(3-hydroxy-4-methoxyphenyl)imino]methy1}-4-[(E)-phenyldiazenyl]phenol H(2)L3/2H(2)O, formed by the 1:1 M condensation of 5-amino-2-methoxyphenol ... -
The new O, O and N, O type ligands and their Cu(II) and Ni(II) complexes: Crystal structure, absorption-emission properties and superoxide dismutase mimetic studies
Kose, Reyhane; Gungor, Seyit Ali; Kariper, Sultan Erkan; Kose, Muhammet; Kurtoglu, Mukerrem (ELSEVIER SCIENCE SA, 2017)In this study, two new O, O type azo-aldehydes (HL1 and HL2), their N, O type salicylaldoxime derivatives containing azo chromophore group (HL3 and HL4) and Cu(II) and Ni(II) complexes were synthesized and characterized ... -
Pamoic acid esters and their xanthene derivatives: Flourimetric detection of nitroaromatic compounds and non-linear optical properties
Gungor, Seyit Ali; Sahin, Irfan; Gungor, Ozge; Kariper, Sultan Erkan; Tumer, Ferhan; Kose, Muhammet (ELSEVIER SCIENCE SA, 2018)In this study, four pamoic acid esters and a dibenzoxanthene derivative of pamoic acid ester were prepared and characterized by the analytical and spectroscopic methods Molecular structure of the synthesized compounds were ... -
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 ... -
Theoretical investigation on the vibrational and electronic spectra of three isomeric forms of dicobalt octacarbonyl
Karakas, Duran; Kariper, Sultan Erkan (ELSEVIER SCIENCE BV, 2014)Three isomeric forms of dicobalt octacarbonyl, [Co-2(CO)(8)], with C-2v, D-3d and D-2d point group were optimized by using density functional theory (DFT/B3LYP) method with LANL2DZ basis set for the cobalt atoms and 6-31G(d) ... -
Theoretical spectroscopic study of seven zinc(II) complex with macrocyclic Schiff-base ligand
Sayin, Koray; Kariper, Sultan Erkan; Sayin, Tuba Alagoz; Karakas, Duran (PERGAMON-ELSEVIER SCIENCE LTD, 2014)Seven zinc complexes, which are [ZnL1](2+), [ZnL2](2+), [ZnL3](2+), [ZnL4](2+), [ZnL5](2+), [ZnL6](2+) and [ZnL7](2+), are studied as theoretically. Structural parameters, vibration frequencies, electronic absorption spectra ... -
Theoretical study on the antitumor properties of Ru(II) complexes containing 2-pyridyl, 2-pyridine-4-carboxylic acid ligands
Kariper, Sultan Erkan; Sayin, Koray; Karakas, Duran (ELSEVIER SCIENCE BV, 2017)[Ru(bipy)(2)(CppH)](2+) (1), [Ru(bipy)(2)(Cpp-NH-Hex-COOH)](2+) (2), [Ru(dppz)(2)(CppH)](2+) (3) and [Ru(dppz)(2)(Cpp-NH-Hex-COOH)](2+) (4) were calculated by Hartree-Fock (HF), Density Functional Theory (DFT) hybrid B3LYP ...