Konu "FT-IR" için WoS İndeksli Yayınlar Koleksiyonu listeleme
Toplam kayıt 18, listelenen: 1-18
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Analysis on molecular, spectroscopic and electronic behavior of 4,4 '-(butane-1,4-diyl)bis(14(1-(4-chlorobenzyl)-1H-1,2,3-triazol-5-yl) methyl)-3-methyl-1H-1,2,4-triazol-5(4H)-one): A theoretical approach
(ELSEVIER SCIENCE BV, 2018)In this study, 4,4'-(butane-1,4-diyl)bis(1-((1-(4-chlorobenzyl)-1H-1,2,3-triazol-5-yl)methyl)-3-methyl-1H-1,2,4-triazol-5(4H)-one) was synthesized and characterized by FT-IR, H-1 NMR and C-13 NMR. In addition, quantum ... -
Antimicrobial activities, DNA interactions, spectroscopic (FT-IR and UV-Vis) characterizations, and DFT calculations for pyridine-2-carboxylic acid and its derivates
(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 experimental (XRD, FT-IR, and UV-Vis) and DFT computational studies on (E)-N-[4-bromo-2-(trifluromethoxy) phenyl]-1-(5-nitrothiophen-2-yl) methanimine
(TAYLOR & FRANCIS LTD, 2016)(E)-N-[4-bromo-2-(trifluromethoxy)phenyl]-1-(5-nitrothiophen-2-yl)methanimine, an organic Schiff base compound has been synthesised and characterised by FT-IR, UV-Vis, and X-ray single-crystal determination. The molecular ... -
Combined experimental and theoretical approaches to the molecular structure of 4-(1-formylnaphthalen-2-yloxy)phthalonitrile
(PERGAMON-ELSEVIER SCIENCE LTD, 2012)The novel compound 4-(1-formylnaphthalen-2-yloxy)phthalonitrile, C19H10N2O2, has been synthesized and characterized by IR, UV-vis, NMR and X-ray single-crystal determination. The title compound, is built up from two planar ... -
Crystal structure, spectroscopic investigations and density functional studies of 4-(4-methoxyphenethyl)-5-benzyl-2H-1,2,4-triazol-3(4H)-one monohydrate
(PERGAMON-ELSEVIER SCIENCE LTD, 2012)The triazol compound 4-(4-methoxyphenethyl)-5-benzyl-2H-1,2,4-triazol-3(4H)-one monohydrate (I) has been synthesized and characterized by H-1 NMR, C-13 NMR. IR, and X-ray single-crystal determination. The molecular geometry, ... -
The examination of molecular structure properties of 4,4 '-oxydiphthalonitrile compound: combined spectral and computational analysis approaches
(TAYLOR & FRANCIS INC, 2019)The synthesis process, X-ray diffraction analysis of its single crystal form and the structural properties of the 4,4 '-oxydiphthalonitrile compound by Fourier transform infrared, nuclear magnetic resonance and ultraviolet-visible ... -
Experimental and computational studies of 4-(Trifluoromethyl)pyridine-2-carboxylic acid
(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 theoretical studies of bis[(E)-1-((3-chloro-4-methylphenylimino)methyl)naphthalen-2-olate-N,O]copper(II)
(ELSEVIER SCIENCE BV, 2018)A novel Schiff base copper complex, bis[(E)-1-((3-chloro-4-methylphenylimino)methyl) naphthalen-2-olate-N,O]copper(II), has been synthesized and characterized by FT-IR and X-ray diffraction techniques. The compound ... -
Molecular structure, spectroscopic, and density functional theory studies of o-Dianisidine
(TAYLOR & FRANCIS LTD, 2017)o-Dianisidine has been characterized by the FT-IR, UV-Vis, and X-ray single-crystal determination. The compound crystallizes in the orthorhombic space group Pbca with a = 7.2593 (4) angstrom, b = 21.3485 (10) angstrom, c ... -
Molecular structure, vibrational spectra and DFT computational studies of melaminium N-acetylglycinate dihydrate
(ELSEVIER SCIENCE BV, 2016)Melaminium N-acetylglycinate dihydrate, an organic material has been synthesized and characterized by X-ray diffraction, FT-IR, and FT-Raman spectroscopies for the protiated and deuteriated crystals. The title complex ... -
A novel copper (II) complex containing pyrimidine-4-carboxylic acid: Synthesis, crystal structure, DFT studies, and molecular docking
(Elsevier, 2022)A new Cu(II) complex of pyrimidine-4-carboxylic acid was synthesized and characterized through a combination of single-crystal XRD, Ultraviolet-Visible (UV-Vis), and Fourier Transform Infrared Spectroscopy (FT-IR). The ... -
Spectroscopic, optical, DNA, antimicrobial and density functional theory studies of 5-Bromo-2-(trifluoromethyl)pyridine
(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 ... -
Structural, vibrational and theoretical studies of anilinium trichloroacetate: New hydrogen bonded molecular crystal with nonlinear optical properties
(PERGAMON-ELSEVIER SCIENCE LTD, 2014)In this work, we report a combined experimental and theoretical study on molecular structure, vibrational spectra and NBO analysis of the potential nonlinear optical (NLO) material anilinium trichloroacetate. The FT-IR and ... -
Synthesis, crystal structure, spectroscopic investigations and DFT calculations of the copper(II) complex of 4-(Trifluoromethyl)pyridine-2-carboxylic acid
(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 ... -
Synthesis, spectroscopic and structural characterization of 5-benzoyl-4-phenyl-2-methylthio-1H-pyrimidine with theoretical calculations using density functional theory
(PERGAMON-ELSEVIER SCIENCE LTD, 2013)In this paper, we will report a combined experimental and theoretical investigation of the molecular structure and spectroscopic parameters (FT-IR, H-1 NMR, C-13 NMR) of 5-benzoyl-4-phenyl-2-methylthio-1H-pyrimidine. The ... -
Synthesis, spectroscopic investigation and biological activities of copper(II) complex of 2-(2,4-difluorophenyl)pyridine: A combined theoretical and experimental study
(ELSEVIER SCIENCE BV, 2019)This paper reports the synthesis, crystal structure determination and spectroscopic characterization of a new copper (II) complex, [CuCl2(dfpy)(2)] [dfpy: 2-(2,4-difluorophenyl)pyridine]. The Cu(II) complex crystallizes ... -
Synthesis, X-ray structure, FT-IR, NMR (C-13/H-1), UV-Vis spectroscopy, TG/DTA study and DFT calculations on 2-(benzo[d]thiazol-2-ylthio)-1-((1s, 3s)-3-mesityl-3-methylcyclobutyl) ethan-1-one
(ELSEVIER SCIENCE BV, 2018)In this work, the structure named 2-(benzo[d]thiazol-2-ylthio)-1-((1s, 3s)-3-mesityl-3-methylcyclobutyl) ethan-l-one, the benzo [d] thiazole derivative, was studied both theoretically and experimentally. The compound was ... -
Two new chelidamate complexes with the 4-methoxypyridine: A combined theoretical and experimental study
(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 ...