Yazar "VURAL, HATICE -- 0000-0001-7940-2173" için listeleme
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Antimicrobial activities, DNA interactions, spectroscopic (FT-IR and UV-Vis) characterizations, and DFT calculations for pyridine-2-carboxylic acid and its derivates
Tamer, Omer; Tamer, Sevil Arabaci; Idil, Onder; Avci, Davut; Vural, Hatice; Atalay, Yusuf (ELSEVIER SCIENCE BV, 2018)In this paper, pyridine-2-carboxylic acid, also known as picolinic acid (pic), and its two derivate, 4-methoxy-pyridine-2-carboxylic acid (4-Mpic) and 4-chloro-pyridine-2-carboxylic acid (4-Clpic) have been characterized ... -
A combined theoretical and experimental study of chelidamate cadmium (II) complex, [Cd-2(dpa)(2)(chel)(2)]center dot 2[Cd(dpa)(chel)]center dot 6H(2)O
Vural, Hatice; Ucar, Ibrahim (PERGAMON-ELSEVIER SCIENCE LTD, 2015)A new chelidamate complex of Cd (II) ion, [Cd-2(dpa)(2)(chel)(2)]center dot 2[Cd(dpa)(chel)]center dot 6H(2)O [(chel: chelidamate or 4-hydroxypyridine-2,6-dicarboxylate, dpa: di (2-picolyl)amine)] was synthesized and ... -
Computational studies on structure and spectroscopic properties of 4-(Boc-amino) pyridine
Vural, H. (ELSEVIER SCIENCE BV, 2015)The molecular modeling of 4-(Boc-amino) pyridine was carried out using B3LYP, CAMB3LYP and PBE1PBE levels of density functional theory (DFT). The vibrational frequencies of the title molecule in the ground state were ... -
Experimental and computational studies of 4-(Trifluoromethyl)pyridine-2-carboxylic acid
Vural, Hatice (ELSEVIER SCIENCE BV, 2016)The vibrational spectrum of 4-(Trifluoromethyl)pyridine-2-carboxylic acid was recorded using Fourier transform infrared spectrometer in the range 4000-400 cm(-1). The optimized geometric structure of 4-(Trifluoromethyl)p ... -
Experimental and computational study of the structure and spectroscopic properties of 1 ',3 '-Dihydrospiro[cyclohexane-1,2 '-[2H] imidazo[4,5-b]pyridine]
The optimized molecular geometry and vibrational frequencies of 1',3'-Dihydrospiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine] were calculated using Hartree Fock (HF) and Density Functional Theory (DFT) methods. The ... -
A mixed experimental and theoretical study on chelidamate copper(II) complex with 4-methylpyrimidine
Vural, Hatice; Ucar, Ibrahim (TAYLOR & FRANCIS LTD, 2016)A new chelidamate complex, [Cu(chel)(H2O)(2)(mpd)] (chel=chelidamate; mpd=4-methylpyrimidine), has been synthesized and characterized through a combination of single crystal X-ray analysis, electron paramagnetic resonance ... -
Spectroscopic, optical, DNA, antimicrobial and density functional theory studies of 5-Bromo-2-(trifluoromethyl)pyridine
Vural, Hatice; Kara, Mehmet (ELSEVIER GMBH, URBAN & FISCHER VERLAG, 2017)The spectroscopic characterization of 5-Bromo-2-(trifluoromethyl)pyridine was performed by the applying of Fourier Transform-Infrared (FT-IR) and H-1 and C-13 Nuclear Magnetic Resonance (NMR) spectroscopies. The optimized ... -
Synthesis, crystal structure, spectroscopic investigations and DFT calculations of the copper(II) complex of 4-(Trifluoromethyl)pyridine-2-carboxylic acid
Vural, Hatice; Orbay, Metin (ELSEVIER SCIENCE BV, 2017)A novel polymeric complex of Cu(II) ion, [Cu(tfpc)(2)],, [tfpc: 4-(Trifluoromethyl)pyridine-2-carboxylate] has been prepared and characterized spectroscopically (by FT-IR) and structurally (by single-crystal XRD). The ... -
Two new chelidamate complexes with the 4-methoxypyridine: A combined theoretical and experimental study
Ucar, Ibrahim; Vural, Hatice; Kucuk, Ebru (PERGAMON-ELSEVIER SCIENCE LTD, 2015)Two new mixed chelidamate complexes, [M(chel)(mhpOCH(3))center dot 2H(2)O]center dot 2H(2)O [M = Ni(II) (1); Co(II) (2); chel: chelidamate or 4-hydroxypyridine-2,6-dicarboxylate; mhp: 4-methoxypyridine], were prepared and ...