DFT and structural studies of 2-oxo-1,2,3,4-tetrahydropyridines
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DOI: 10.1016/j.comptc.2016.11.018
Abstract: Abstract Quantum chemical calculations based on density functional theory (DFT) and X-ray crystal structure analysis of some ethyl 4-aryl-6-methyl-2-oxo-1,2,3,4-tetrahydropyridine-5-carboxylates (THPYs) were applied in order to elucidate the effect of variations of the additional substituent on… read more here.
Keywords: studies oxo; structural studies; oxo tetrahydropyridines; geometry ... See more keywords
NMR and DFT Studies of 2-Oxo-1,2,3,4-tetrahydropyridines: Solvent and Temperature Effects
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DOI: 10.1071/ch18018
Abstract: Various 5-carboethoxy-2-oxo-1,2,3,4-tetrahydropyridines and their corresponding oxidation products containing methoxy or nitro groups on different positions of the C4-aryl ring were synthesized and the effect of steric and electrostatic interactions of these aryl substituents on the… read more here.
Keywords: dft studies; studies oxo; solvent temperature; tetrahydropyridines solvent ... See more keywords