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Toplam kayıt 6, listelenen: 1-6
Theoretical and experimental investigation of (E)-2-([3,4-dimethylphenyl)imino]methyl)-3-methoxyphenol: Enol-keto tautomerism, spectroscopic properties, NLO, NBO and NPA analysis
(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 ...
Experimental (X-ray, FT-IR and UV-vis spectra) and theoretical methods (DFT study) of (E)-3-methoxy-2-[(p-tolylimino)methyl]phenol
(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 ...
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
(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, ...
Experimental and quantum chemical computational study of (E)-1-[5-(3,4-dimethylphenyldiazenyl)-2-hydroxyphenyl]ethanone
(Pergamon-Elsevier Science Ltd, 2012)
In this work, the azo dye, (E)-1-[5-(3,4-dimethylphenyldiazenyl)-2-hydroxyphenyl]ethanone, has been synthesized and characterized by IR. and X-ray single-crystal determination. In the theoretical calculations, the stable ...
Experimental and density functional theory (DFT) studies on (E)-2-Acetyl-4-(4-nitrophenyldiazenyl) phenol
(Elsevier, 2011)
A suitable single crystal of (E)-2-Acetyl-4-(4-nitrophenyldiazerwl) phenol, formulated as C14H11N3O4, (I), reveals that the structure is adopted to its E configuration and molecules are linked by C-H center dot center dot ...
Experimental and DFT computational studies on 5-benzyl-4-(3,4-dimethoxyphenethyl)-2H-1,2,4-triazol-3(4H)-one
(Springer, 2010)
The triazole compound, 5-benzyl-4-(3,4-dimethoxyphenethyl)-2H-1,2,4-triazol-3(4H)-one, has been synthesized and characterized by H-1-NMR, C-13-NMR, IR, and X-ray single-crystal determination. The compound crystallizes in ...