Yazar "Demircioglu, Zeynep" için listeleme
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A combined experimental (XRD, FT-IR, UV-VIS and NMR) and theoretical (NBO, NLO, local & global chemical activity) studies of methyl 2-((3R,4R)-3-(naphthalen-1-yl)-4-(phenylsulfonyl) isoxazolidin-2-yl) acetate
Gultekin, Zeynep; Demircioglu, Zeynep; Frey, Wolfgang; Büyükgüngör, Orhan (Elsevier, 2020)Methyl 2-((3R,4R)-3-(naphthalen-1-yl)-4-(phenylsulfonyl) isoxazolidin-2-yl) acetate (3e) was synthesized and characterized by XRD, FT-IR, UV-Vis and NMR techniques. All theoretical computations were calculated by using ... -
Crystal structure of (Z)-4-[1-(4-acetylanilino)ethyl-idene]-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
Mahfouz, Refaat M.; Demircioglu, Zeynep; Abbady, Mohamed S.; Büyükgüngör, Orhan (Int Union Crystallography, 2015)In the solid state, the title compound, C20H19N3O2, adopts the keto amine tautomeric form, with the H atom attached to the N atom, which participates in an intramolecular N-H center dot center dot center dot O hydrogen ... -
Crystal structure of 2-(azaniumylmethyl)pyridinium bis(hydrogen squarate)
Salamzadeh, Nina; Demircioglu, Zeynep; Korkmaz, Ufuk; Büyükgüngör, Orhan (Int Union Crystallography, 2017)The asymmetric unit of the title compound, C6H10N22+center dot 2C(4)HO(4)(-), comprises two hydrogen squarate (Hsq(-); systematic name: 2-hydroxy-3,4-dioxocyclobutanolate) anions and a 2-(azaniumylmethyl) pyridinium dication. ... -
Crystal structure, FT-IR, FT-Raman and DFT studies on a novel compound [C10H9N3](4)AgNO3
Bilkan, Mustafa Tugfan; Yurdakul, Senay; Demircioglu, Zeynep; Büyükgüngör, Orhan (Elsevier Science Sa, 2016)A new complex of N-(pyridin-2-yl) pyridin-2-amine (NDPA) molecule, which is [C10H9N3](4)AgNO3, has been synthesized for the first time and characterized by single-crystal X-ray diffraction, elemental analysis, Raman and ... -
Diaquabis(5-methoxyindole-2-carboxylato)bis(3-picoline)nickel(II) Complex: Synthesis, Characterization, XRD, TGA, DFT and HSA
Cebe, Demet; Heren, Zerrin; Demircioglu, Zeynep; Büyükgüngör, Orhan (Taylor & Francis Ltd, 2018)A new complex of diaquabis(5-methoxyindole-2-carboxylato)bis(3-picoline)nickel(II) (Ni(5-MeOI2CA)(2)(3-pic)(2)(H2O)(2)), was synthesized for the first time and characterized by elemental analysis, FT-IR and electronic ... -
Experimental (X-ray, FT-IR and UV-vis spectra) and theoretical methods (DFT study) of (E)-3-methoxy-2-[(p-tolylimino)methyl]phenol
Demircioglu, Zeynep; Albayrak, Cigdem; Büyükgüngör, Orhan (Pergamon-Elsevier Science Ltd, 2014)A suitable single crystal of (E)-3-methoxy-2-[(p-tolylimino)methyl]phenol, formulated as C15H15N1O2, reveals that the structure is adopted to its E configuration about the azomethine C=N double bond. The compound adopts a ... -
Experimental and theoretical approach: Local and global chemical activity, charge transfer method with DNA bases, spectroscopic, structural and electronic properties of (E)-2-(((4-fluorophenyl)imino) methyl)-4-methoxyphenol
Guzel, Enis; Demircioglu, Zeynep; Cicek, Ceren; Agar, Erbil (Elsevier, 2020)(E)-2-(((4-fluorophenyl)imino) methyl)-4-methoxyphenol compound was synthesized and characterized using FT-IR, UV-Vis, NMR and X-ray diffraction method. Hirshfeld surface analysis was used to show surface contours and ... -
Quantum chemical and X-ray diffraction studies of (E)-3-(((3,4-dimethoxybenzyl)imino)methyl)benzene-1,2-diol
Uzun, Serap; Demircioglu, Zeynep; Tasdogan, Mahmut; Agar, Erbil (Elsevier, 2020)In this study, the target compound, (E)-3-(((3,4-dimethoxybenzyl)imino)methyl)benzene-1,2-diol, has been synthesized and characterized by FT-IR, UV-Vis and H-1 NMR, C-13 NMR methods. It's molecular structure has been ... -
The spectroscopic (FT-IR, UV-vis), Fukui function, NLO, NBO, NPA and tautomerism effect analysis of (E)-2-[(2-hydroxy-6-methoxybenzylidene)amino]benzonitrile
Demircioglu, Zeynep; Kastas, Cigdem Albayrak; Büyükgüngör, Orhan (Pergamon-Elsevier Science Ltd, 2015)A new o-hydroxy Schiff base, (E)-2-[(2-hydroxy-6-methoxybenzylidene)amino]benzonitrile was isolated and investigated by experimental and theoretical methodologies. The solid state molecular structure was determined by X-ray ... -
Synthesis, characterization, crystal structure, Hirshfeld surface analysis and spectroscopic properties of bis(5-aminoisophthalato) bispicolinecopper (II)
Erdogmus, Gulnur; Demircioglu, Zeynep; Heren, Zerrin; Topcu, Yildiray; Büyükgüngör, Orhan (Elsevier, 2020)The 2D coordination polymer of Cu(II), [Cu(5-aip) (3-pic)(2)](n) (5-aip = 5-aminoisophthalato, 3-pic = 3-picoline) was characterized by elemental analysis, FT-IR and UV-Vis spectroscopy and single crystal XRD techniques. ... -
Synthesis, spectroscopic characterization, X-ray structure and DFT calculations of Ni(II) bis(3,4 dimethoxybenzoate) bis(nicotinamide) dihydrate
Kaya, Elif Celenk; Kaya, Afsin Ahmet; Demircioglu, Zeynep; Büyükgüngör, Orhan (Walter De Gruyter Gmbh, 2017)A single crystal of Ni(II) bis(3,4 dimethoxybenzoate) bis(nicotinamide) dihydrate, formulated as C-30 H-34 N-4NiO12 (I), was characterized in the solid state by infra-red (IR), ultra-violet (UV) and single crystal X-ray ... -
Synthesis, X-ray diffraction method, spectroscopic characterization (FT-IR, H-1 and C-13 NMR), antimicrobial activity, Hirshfeld surface analysis and DFT computations of novel sulfonamide derivatives
Demircioglu, Zeynep; Ozdemir, Fethi Ahmet; Dayan, Osman; Serbetci, Zafer; Özdemir, Namık (Elsevier Science Bv, 2018)Synthesized compounds of N-(2-aminophenyl)benzenesulfonamide 1 and (Z)-N-(2-((2-nitrobenzylidene)amino)phenyl)benzenesulfonamide 2 were characterized by antimicrobial activity, FT-IR, H-1 and C-13 NMR. Two new Schiff base ... -
Synthesis, X-ray structural characterization, NLO, MEP, NBO and HOMO-LUMO analysis using DFT study of Zn(II)bis(3,4 dimethoxybenzoate) bis(nicotinamide) dihydrate
Kaya, Afsin Ahmet; Demircioglu, Zeynep; Kaya, Elif Celenk; Büyükgüngör, Orhan (Walter De Gruyter Gmbh, 2014)A single crystal of Zn(II) bis(3,4 dimethoxybenzoate) bis(nicotinamide) dihydrate, formulated as C30H38N4O14 Zn, (I) has been obtained. According to experimental data, the complex can be characterized in the solid state ... -
Synthesis, X-Ray Structural, Characterization, NLO, MEP, NBO, and HOMO-LUMO Analysis Using DFT Study of Co(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) Dihydrate
Kaya, Elif Celenk; Demircioglu, Zeynep; Kaya, Afsin Ahmet; Büyükgüngör, Orhan (Taylor & Francis Ltd, 2015)A suitable single crystal of Co(II)bis(3,4 dimethoxybenzoate)bis(nicotinamide) dihydrate, formulated as C30H38N4O14Co,(I). According to experimental data, the complex can be characterized in the solid state as mononuclear, ... -
Theoretical analysis (NBO, NPA, Mullikcn Population Method) and molecular orbital studies (hardness, chemical potential, electrophilicity and Fukui Function Analysis) of (E)-2-((4-hydroxy-2-methylphenylimino) methyl)-3-methoxyphenol
Demircioglu, Zeynep; Katas, Cigdem Albayrak; Büyükgüngör, Orhan (Int Union Crystallography, 2015)… -
Theoretical analysis (NBO, NPA, Mulliken Population Method) and molecular orbital studies (hardness, chemical potential, electrophilicity and Fukui function analysis) of (E)-2-((4-hydroxy-2-methylphenylimino)methyl)-3-methoxyphenol
Demircioglu, Zeynep; Kastas, Cigdem Albayrak; Büyükgüngör, Orhan (Elsevier Science Bv, 2015)The molecular structure and spectroscopic properties of (E)-2-((4-hydroxy-2-methylphenylimino)-methyl)-3-methoxyphenol, were characterized by X-ray diffraction, FT-IR and UV-Vis spectroscopy. All of theoretical calculations ... -
Theoretical and Experimental Investigation of (E)-2-([3,4-dimethylphenyl)imino]methyl)-3-methoxyphenol
Büyükgüngör, Orhan; Demircioglu, Zeynep; Albayrak, Cigdem (Int Union Crystallography, 2016)… -
Theoretical and experimental investigation of (E)-2-([3,4-dimethylphenyl)imino]methyl)-3-methoxyphenol: Enol-keto tautomerism, spectroscopic properties, NLO, NBO and NPA analysis
Demircioglu, Zeynep; Albayrak, Cigdem; Büyükgüngör, Orhan (Elsevier Science Bv, 2014)The molecular structure and spectroscopic properties of (E)-2-([3,4-dimethylphenyl)iminolmethyl)-3methoxyphenol were investigated by X-ray diffraction, FT-IR and UV-vis spectroscopy. The vibrational frequencies calculatedusing ...
