Yazar "Aydin, Fatma" seçeneğine göre listele

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    1,3,1?,3?-(Dinaphthalene-1,8-diyl)bisthiourea
    (Mdpi, 2016) Aydin, Fatma
    A new bisthiourea compound, 1,3,1',3'-(dinaphthalene-1,8-diyl) bisthiourea, was synthesized. Its structure was characterized by elemental analysis, FT-IR and H-1-, C-13-NMR and MS spectroscopic techniques. The compound was found to selectively recognize fluoride anions among other halides as demonstrated by means of UV-vis absorption spectroscopic date and the naked eye.
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    Adsorption of Ethylene and 1-methylcyclopropene (1-MCP) on Al-doped Graphene Structure: A DFT Study for Gas Sensing Application
    (Turkish Chemical Society, 2024) Aydin, Fatma; Sel, Kivanc
    Ethylene is the ripening hormone of fruits and vegetables. 1-Methylcyclopropene (1-MCP) is used as the inhibitor of the ethylene actions for extending the postharvest shelf life of the plants. To control the ripening and extending the shelf life of the plants, the adsorption characteristics of ethylene and 1-MCP on Al-doped graphene structure (AlG) were investigated as a gas sensing application by density functional theory (DFT) calculations. The geometric structures were optimized, HOMO and LUMO, energy gap, adsorption energies, the density of states (DOS), electrostatic potential (ESP) and the global reactivities were calculated for different distances between the adsorbed ethylene or 1-MCP and the adsorbent AlG. Chemisorption and physisorption interactions were analyzed. For the chemisorption process of ethylene and 1-MCP on AlG, the adsorption energies were 19.34 kJ/mol and 56.53 kJ/mol, respectively. Whereas for the physisorption process, the adsorption energies of ethylene and 1-MCP were-60.16 kJ/mol and-7.32 kJ/mol, respectively. As a result, it was presented that the AlG structure has sufficient characteristics to be a good adsorbent and a gas sensor of ethylene and 1-MCP. © 2024, Turkish Chemical Society. All rights reserved.
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    Degradation of Poly(vinyl chloride) onto KF-Al2O3
    (Asian Journal Of Chemistry, 2010) Aydin, Fatma; Basan, Satilmis
    gamma-Alumina coated with potassium fluoride, KF-Al2O3 proved dehydrochlorination of poly(vinyl chloride), in tetrahydrofuran. The molecular changes was observed in the accurance of polyene sequence distribution by using UV-Vis spectrophotometer. The increase of dehydrochlorination rate was investigated at different reaction times and amount of KF-Al2O3.
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    Diethyl 2,6-Dimethyl,4-(1,1,1-trichloromethyl)-1,4-dihydropyridine-3,5-dicarboxylate
    (Mdpi, 2006) Aydin, Fatma; Ozen, Recep
    [Anstract Not Available]
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    Experimental and ab initio computational studies on N-(4-nitrobenzoyl)-N?-(1,5-dimethyl-3-oxo-2-phenyl-1H-3(2H)-pyrazolyl)-thiourea
    (Int Union Crystallography, 2011) Arslan, N. Burcu; Kazak, Canan; Aydin, Fatma
    [Anstract Not Available]
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    Experimental and theoretical investigation of N-(4-nitrobenzoyl)-S-(cyclohexyl)-dithiocarbamate, N-(4-nitrobenzoyl)-S-benzyldithiocarbamate
    (Elsevier Science Bv, 2018) Arslan, N. Burcu; Kazak, Canan; Aydin, Fatma
    Two new dithiocarbamate molecules were synthesized and characterized by H-1 NMR, C-13 NMR, IR, and structural X-ray diffraction techniques. The molecular geometry, vibrational frequencies of the title compounds in the ground state have been calculated by using the Hartree-Fock (HF) and density functional theory (DFT) methods with 6-31G(d) basis set, also gauge-independent atomic orbital (GIAO) H-1 and C-13 NMR chemical shift values of the title compound (I) have been calculated by the same methods and compared with the experimental data. The calculated results show that the optimized geometries can well reproduce the crystal structural parameters. A detailed vibrational spectral analysis has been carried out and assignments of observed fundamental bands have been proposed on basis of peak positions. The scaled theoretical frequencies showed very good agreement with experimental values. In addition, the computed H-1 and C-13 NMR chemical shift values are in line with experimental data. To determine conformational flexibility, the molecular energy profile of the title compounds were obtained in respect of the selected torsion angle, which were varied from -180 degrees to +180 degrees in steps of 10 degrees. Besides, frontier molecular orbitals (FMO), molecular electrostatic potential (MEP)analysis and thermodynamic properties were investigated by theoretical calculations. (C) 2017 Elsevier B.V. All rights reserved.
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    Molecular structure, spectroscopic properties and quantum chemical calculations of a novel 2,2?-Dicarboxy-4,4?-(propane-2,2-di-yl)diphenol
    (Elsevier, 2014) Aydin, Fatma; Alpaslan, Gokhan; Unver, Hiiseyin
    The synthesis, spectroscopic (IR, H-1 and C-13 NMR chemical shifts) investigations of 2,2'-Dicarboxy-4,4'-(propane-2,2-di-yl)diphenol molecule have been confirmed. Molecular geometry, vibrational frequencies and gauge including atomic orbital (GIAO) H-1 and C-13 NMR chemical shift values of the compound in the ground state have been calculated using the density functional method (OFT) with 6-311G++(d,p) basis set. The calculated values are in good agreement with the experimental values. The energetic behavior of the compound in solvent media has been examined using B3LYP method with the 6-311G++(d,p) basis set by applying the polarizable continuum model (PCM). The total energy of the compound decreases with increasing polarity of the solvent. Besides, molecular electrostatic potential (MEP), non-linear optical (NLO) properties of the compound have been investigated by using theoretical calculations. (C) 2014 Elsevier B.V. All rights reserved.
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    N,N'-Bis-(2,5-dimethyl-3-oxo-1-phenyl-2,3-dihydro-1H-pyrazol-4-yl)phthalamide
    (Mdpi, 2012) Aydin, Fatma; Dagci, Erdogan
    The title compound, N,N'-bis-(2,5-dimethyl-3-oxo-1-phenyl-2,3-dihydro-1H-pyrazol-4-yl)phthalamide has been synthesized by reactions of o-phthaloyl chloride with 4-amino-2,5-dimethyl-1-phenyl-3-oxo-1H-pyrazolone in acetonitrile. The structure of the new compound was characterized by FT-IR, H-1 NMR, C-13 NMR and mass spectroscopic techniques. Physical parameters of the compound such as melting point, solubility,lambda(max) were examined.
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    N,N?-Bis-(4-nitrophenylcarbamothioyl)phthalamide
    (Mdpi, 2013) Aydin, Fatma; Dagci, Erdogan
    A novel colorimetric receptor linked to two nitrophenylurea groups was synthesized in good yields, characterized and their chromogenic properties investigated towards various anions (F-, Cl-, Br-, I-, OH-, AcO-, H2PO4- and CN-) by UV-Vis techniques. The receptor, effectively and selectively, recognized and distinguished the biologically important F- from other anions such as Cl-, Br-, I- etc. in DMSO. This selectivity could be easily observed by the naked eye, indicating that receptor is potential colorimetric sensor for fluoride ion.
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    N-(4-Nitrobenzoyl)-N?-(1,5-dimethyl-3-oxo-2-phenyl-1H-3(2H)-pyrazolyl)-thiourea hydrate: Synthesis, spectroscopic characterization, X-ray structure and DFT studies
    (Pergamon-Elsevier Science Ltd, 2012) Arslan, N. Burcu; Kazak, Canan; Aydin, Fatma
    The title molecule (C19H17N5O4S center dot H2O) was synthesized and characterized by IR-NMR spectroscopy. MS and single-crystal X-ray diffraction. The molecular geometry, vibrational frequencies and gaugeindependent atomic orbital (GIAO) H-1 and C-13 NMR chemical shift values of the compound in the ground state have been calculated by using the density functional theory (DM method with 6-31G(d) basis set, and compared with the experimental data. All the assignments of the theoretical frequencies were performed by potential energy distributions using VEDA 4 program. The calculated results show that the optimized geometries can well reproduce the crystal structural parameters, and the theoretical vibrational frequencies and H-1 and C-13 NMR chemical shift values show good agreement with experimental data. To determine conformational flexibility, the molecular energy profile of the title compound was obtained with respect to the selected torsion angle, which was varied from -180 degrees to +180 degrees in steps of 10 degrees. Besides, molecular electrostatic potential (MEP), frontier molecular orbitals (FMO) analysis and thermodynamic properties of the compound were investigated by theoretical calculations. (C) 2011 Elsevier B.V. All rights reserved.
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    N-[(2,5-Dimethyl-3-oxo-1-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]isonicotinamide
    (Mdpi, 2010) Aydin, Fatma; Dagci, Erdogan
    A new heterocyclic compound, N-[(2,5-dimethyl-3-oxo-1-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]isonicotinamide, was synthesized from isonicotinoyl isothiocyanate and 4-aminoantipyrine in acetonitrile solution. The title compound was characterized by FT-IR, H-1 NMR, C-13 NMR and MS spectroscopic methods. Physical parameters of the compound were examinated.
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    N-Benzoyl-S-(undecyl)-dithiocarbamate: Synthesis, characterization, X-ray single crystal structure, thermal behavior and computational studies
    (Elsevier, 2020) Aydin, Fatma; Arslan, N. Burcu; Aslan, Kadir
    A new dithiocarbamate molecule, named as N-benzoyl-S-(undecyl)-dithiocarbamate (C19H29NOS2), was synthesized and characterized by (HNMR)-H-1, (CNMR)-C-13, FT-IR spectroscopic methods. X-ray analysis of the crystal structure of title compound showed the presence of triclinic space group with a = 4.2417 (8) angstrom, b = 20.010 (4) angstrom, c = 27.959 (6) angstrom, Z = 4, V = 2338.9 angstrom(3). Detailed investigation of molecular packing of the molecule indicated the presence of intermolecular hydrogen bond between C1-H1 center dot center dot center dot S4(i) and C24 -H24 center dot center dot center dot S2(v) that generates R-2(2) (10) motifs, and intermolecular hydrogen bonds between N1-H111 center dot center dot center dot S4(ii) and N2-H222 center dot center dot center dot S2(iv) atoms that forms R-2(2) (7) rings. Thermal properties of the title compound were investigated by thermogravimetric analysis (DTA/TG) and differential scanning calorimetry (DSC). Molecular electrostatic potential (MEP), the HOMO and LUMO energies and thermodynamic parameters of the title compound were calculated using density functional theory (DFT) with B3LYP/6-311G (d,p) level. (C) 2019 Published by Elsevier B.V.
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    PMSE 489-Poly(4-vinylpyridine) based nanoparticle syntheses and their applications to functional materials
    (Amer Chemical Soc, 2008) Özay, Özgür; Aydin, Fatma; Ekici, Sema; Yıldız, Mustafa; Baran, Yakup; Tan, Grace; John, Vijay T.
    [Anstract Not Available]
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    Possible chemical mechanism and determination of inhibitory effects of 1-MCP on superficial scald of the Granny Smith apple variety
    (Tubitak Scientific & Technological Research Council Turkey, 2016) Ekinci, Neslihan; Seker, Murat; Aydin, Fatma; Gundogdu, Mehmet Ali
    The effects of postharvest 1-methylcyclopropene (1-MCP) treatments on alpha-farnesene content, incidence of scald, and ethylene content of the Granny Smith apple were evaluated in this study. Harvested apples were treated with 1-MCP at concentrations of 312.5, 625, and 1250 ppb. The 625 and 1250 ppb doses were found to be the most effective in terms of quality protection during storage. For untreated fruits, symptoms of scald development appeared after 8 weeks in cold storage, whereas 1-MCP doses of 625 and 1250 ppb were effective in decreasing superficial scald in fruit after 24 weeks of cold storage. 1-MCP can inhibit oxidation of alpha-farnesene, which synthesizes during storage. This induces reactive oxygen species metabolism. 1-MCP introduces competitive behavior by breaking the balance between a-farnesene production and the antioxidative defense system, due to the Schenck ene reaction.
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    Spectroscopic Studies and Structure of 4-(3-Benzoylthioureido)benzoic Acid
    (Springer/Plenum Publishers, 2010) Aydin, Fatma; Unver, Huseyin; Aykac, Dogan; Iskeleli, Nazan Ocak
    4-(3-Benzoylthioureido)benzoic acid has been synthesized from the reaction of 4-aminobenzoic acid with benzoyl isothiocyanate. The title compound has been characterized by elemental analysis, MS, FT-IR, H-1-NMR, C-13-NMR and UV-Visible techniques. The structure of the compound has also been examined crystallographically. The title compound crystallizes in the triclinic space group P-1 with a = 3.969(1), b = 13.039(1), c = 13.504(1) angstrom, alpha = 96.50(1)degrees, beta = 92.25(1)degrees, gamma = 94.94(1), V = 691.0(1) angstrom(3) and D-x = 1.444 g cm(-3), respectively. The crystal structure has been solved by direct methods and refined by full-matrix least squares and found R (1) = 0.031 and wR (2) = 0.081 for 2909 observed reflections [I > 2 sigma(I)].
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    Synthesis and structural X-ray analysis of 1,1?-(naphthalene-1,8-diyl)-3,3?-dibenzoyl-bisthiourea and its use as anion-binding receptor
    (Tubitak Scientific & Technological Research Council Turkey, 2012) Aydin, Fatma; Tunoglu, Nazan; Aykac, Dogan; Arslan, Nahide Burcu; Kazak, Canan
    A novel artificial receptor, 1,1'-(naphthalene-1,8-diyl)-3,3'-dibenzoyl-bisthiourea, based on a 1,8-naphthalene skeleton bearing bisthiourea groups was prepared and characterized by IR and H-1-NMR, C-13-NMR, and MS spectroscopic techniques. The compound proved to be an efficient and selective naked-eye detector for the fluoride, cyanide, and hydroxide ions in DMSO. The crystal structure of the title compound was examined by using X-ray crystallographic techniques and found to be crystallized in the monoclinic space group P - 1 with the unit cell parameters: a = 8.1556(8) angstrom, b = 12.0127(11) angstrom, c = 13.2081(11) angstrom, alpha = 109.510(7)degrees, beta = 95.390(7)degrees, gamma = 103.660(7)degrees, Z = 2. The intramolecular N-H center dot center dot center dot O hydrogen bonding interactions between the N-H and the oxygen atom of C=O groups support a 1,1'-(naphthalene-1,8-diyl)3,3'-dibenzoyl-bisthiourea framework. Moreover, the combinations of N-H center dot center dot center dot S bonds produce R-2(2) (8) rings.
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    Synthesis of 4-(4-(dimethylamino)phenyl)-5-acetyl-6-phenyl-3,4-dihydropyrimidin-2(1H)-thione
    (Mdpi, 2006) Aydin, Fatma
    [Anstract Not Available]
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    Synthesis of New N-Benzoyl-S-alkyl/aryl-dithiocarbamates
    (Asian Journal Of Chemistry, 2010) Aydin, Fatma; Aykac, Dogan; Dagci, Erdogan
    New N-benzoyl-S-alky/aryldithiocarbamates were synthesized in moderate to good yields by the reactions of benzoyl isothiocyanate with substituted aryl- and akylthiols.
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    Synthesis of Two Novel Aroyl Thioureas and Their Use as Anion Binding Receptors
    (Asian Journal Of Chemistry, 2013) Aydin, Fatma; Tunoglu, Nazan; Aykac, Dogan
    New aroyl thioureas; N-nicotinoyl-N'-(4-nitrophenyl) thiourea (3a) and N-nicotinoyl-N'-(2-nitrophenyl) thiourea (3b) were synthesized and studied as anion-binding receptors. Upon adding tetrabutyl ammonium halides (fluoride, chloride bromide and iodide), cyanide and hydroxide ions to their solutions in DMSO respectively, the colour of the solutions has shown striking changes from pale yellow to brillant yellow or red. The binding effects of the anions were investigated by UV-VIS spectroscopic method and H-1 NMR titrations.