Konu "NMR" için listeleme
Toplam kayıt 7, listelenen: 1-7
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2-Hydroxyanthraquinone substituted cyclotriphosphazenes: Synthesis and cytotoxic activities in cancer cell lines
(Elsevier Science Sa, 2021)Scientists continue to synthesize substances that have cytotoxic effects and examine their properties to overcome cancer for a long time. This study is aimed at preparing novel cyclotriphosphazene derivatives and examining ... -
2D MAXY-JRES NMR spectroscopy of CHnCHm (CA nCXm) groups: Product operator theory and simulation
(2007)There exist a variety of multi-pulse NMR experiments for spectral editing of complex molecules in solution. Maximum quantum correlation NMR spectroscopy (MAXY NMR) is one of the techniques for distinguishing CHn groups by ... -
Computational studies on structure and spectroscopic properties of 4-(Boc-amino) pyridine
(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 ... -
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 ... -
Molecular structure, spectroscopic and DFT computational studies on 4,5-bis(tert-butylsulfanyl)phthalonitrile
(ELSEVIER SCIENCE BV, 2015)The molecular geometry, vibrational frequencies and gauge including atomic orbital (GIAO) H-1 and C-13 NMR chemical shift values of 4,5-bis(tert-butylsulfanyl)phthalonitrile in the ground state were calculated using 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 ...