Search results for "nitroamine"

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Nitramino, NRNO2 (R = H, CH3), as a substituent.13C and15N NMR spectroscopic study of nitraminobenzenes and -pyridines

1993

In order to clarify the special properties of the aryl-bound nitramino substituent NRNO 2 (R=H, CH 3 ), 13 C and 15 N NMR spectra of six nitraminobenzenes and nine nitraminopyridines were measured in DMSO-d 6 and their chemical shifts assigned. 1 H NMr chemical shifts and spin-spin coupling constants of all the compounds were also determined. In contrast to the behaviour of nitropyridines or -benzenes studied previously, most of the present compounds gave very broad 17 O NMR lines even at elevated temperatures and their 17 O NMR data were not useful for any reliable conclusions

StereochemistryChemical shiftSubstituentGeneral ChemistryNuclear magnetic resonance spectroscopyNmr dataMedicinal chemistryNMR spectra databasechemistry.chemical_compoundchemistryBenzene derivativesProton NMRNitroamineGeneral Materials ScienceMagnetic Resonance in Chemistry
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Structure-based evaluation of the resonance interactions and effectiveness of the charge transfer in nitroamines

2011

Structural data for five nitroamines of general formula Me₂N–G–NO₂ show effectiveness of the ground-state charge transfer to be most and least efficient in N,N-dimethylnitramine and in 4-N,N-dimethylamino-β-nitrostyrene, respectively. Electron-donor power of the amino nitrogen atom in the latter compound is less than that in 4-nitro-β-N,N-dimethylaminostyrene (these two compounds are isomers). Natural population analysis shows that the charge transfer from the amino to the nitro oxygen atoms is most effective in N,N-dimethylnitramine, Me₂N–NO₂. The nitro oxygen atoms are not the only acceptors of the negative charge lost by the amino nitrogen atom. The nitro group in two substituted nitrobe…

resonance interactionrakennevuorovaikutusresonancequantum-chemical calculationsnitroaminenitroamiiniresonanssi
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