Ara
Toplam kayıt 46, listelenen: 11-20
Experimental (XRD, IR and NMR) and theoretical investigations on 1-(2-nitrobenzoyl)3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
(ELSEVIER SCIENCE BV, 2016)
The pyrazole compound 1-(2-nitrobenzoyl)3,5-bis(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole (I) has been synthesized and characterized by IR, NMR and X-ray diffraction methods. The compound crystallizes in the monoclinic space ...
Quantum chemical studies on the molecular structure, spectroscopic and electronic properties of (6-Methoxy-2-oxo-2H-chromen-4-yl)-methyl pyrrolidine-1-carbodithioate
(DE GRUYTER OPEN LTD, 2016)
In this paper, the molecular geometry, vibrational frequencies and chemical shifts of (6-Methoxy-2-oxo-2H-chromen-4-yl) methyl pyrrolidine-1-carbodithioate in the ground state have been calculated using the Hartree-Fock ...
DFT quantum chemical studies of (E)-4-Bromo-N-(2-chlorobenzylidene)-aniline
(SPRINGER HEIDELBERG, 2017)
The molecular geometry and electronic properties of the Schiff base compound (E)-4-Bromo-N-(2-chlorobenzylidene)-aniline in the ground state have been investigated using the density functional theory method (B3LYP) with ...
Synthesis, crystal structure, spectral analysis and DFT computational studies on a novel isoindoline derivative
(ELSEVIER SCIENCE BV, 2016)
The isoindoline compound, 2-(3-chloro-4-(4-chloroPhenoxy)phenyflisoindoline-1,3-dione, has been synthesized and characterized by FT-IR, UV-Vis and X-ray single-crystal determination. The compound crystallizes in the ...
Identification of structural and spectral properties of synthesized 3-(p-isopropylphenyl)-5-(o,m,p-nitrophenyl)-1-phenylformazans: A combined experimental and DFT study
(ELSEVIER SCI LTD, 2015)
The fomazan compounds 3-(p-isopropylphenyl)-5-(o,m,p-nitrophenyl)-5-phenylformazans (1-3) have been synthesized and characterized by FTIR, UV Vis and H-1 NMR spectroscopic techniques and elemental analysis. Quantum chemical ...
Molecular structure, vibrational spectra, NLO and MEP analysis of bis[2-hydroxy-kappa O-N-(2-pyridyl)-1-naphthaldiminato-kappa N]zinc(II)
(PERGAMON-ELSEVIER SCIENCE LTD, 2013)
The molecular geometry and vibrational frequencies of bis[2-hydroxy-kappa O-N-(2-pyridyl)-1-naphthaldiminato-kappa N]zinc(II) in the ground state have been calculated by using the Hartree-Fock (HF) and density functional ...
Combined experimental and DFT computational studies on (E)-1-(5-nitrothiophen-2-yl)-N-[4-(trifluoromethyl)phenyl] methanimine
(ELSEVIER SCIENCE BV, 2013)
The Schiff base compound (E)-1-(5-nitrothiophen-2-yl)-N-[4-(trifluoromethyl)phenyl] methanimine has been synthesized and characterized by IR, UV-Vis, and X-ray single-crystal determination. The molecular geometry from X-ray ...
Crystal Structure, Spectroscopy, and Quantum Chemical Studies of (E)-2[(2-Chlorophenyl)iminomethyl]-4-trifluoromethoxyphenol
(AMER CHEMICAL SOC, 2011)
The Schiff base compound (E)-2-[(2-chlorophenyl)iminomethyl]-4-trifluoromethoxyphenol has been synthesized and characterized by IR, UV-vis, and X-ray single-crystal determination. The molecular geometry from X-ray experiment ...
Synthesis, crystal structure, spectroscopic characterization and DFT studies of bis[(1Z,2E)-N-(2,6-diethylpheny1)-N'-hydroxy-2(hydroxyimino)acetimidamidato]nickel(II)
(ELSEVIER SCIENCE SA, 2017)
Bis[(1Z,2E)-N-(2,6-diethylpheny1)-N'-hydroxy-2-(hydroxyimino)acetimidamidato]nickel(II) was synthesized and characterized by IR, UV Vis, and X-ray diffraction technique. The molecular geometry and vibrational wavenumbers ...
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 ...
