7 research outputs found
The urea decomposition in the process of the heterogeneous catalytic denitration of nitric acid solutions Part I. Kinetics of the reaction
International audienc
The platinum catalyzed hydrazine decomposition in non-nitrate acidic media
International audienc
Heterogeneous catalytic oxidation of neptunium(IV) in nitric acid solutions
International audienc
Catalytic denitration by HCO2H of HNO3 concentrated media in the presence of Pt/SiO2 catalysts mechanism and influence of Pt particle size
International audienc
Computational and spectroscopic data correlation study of N,N '-bisarylmalonamides (Part II)
To complement a previous UV study, we present a quantitative evaluation of substituent effects on spectroscopic data (H-1 and C-13 NMR chemical shifts as well as FT-IR absorption frequency) applied to N, N'-bisarylmalonamides, using simple and extended Hammett equations as well as the Swain-Lupton equation. Furthermore, the DFT CAM-B3LYP/6-311+G(d,p) method was applied to study the impact of different solvents on the geometry of the molecules and their spectral data. Additionally, experimental data are correlated with theoretical results; excellent linear dependence was obtained. The overall results presented in this paper show that N, N'-bisarylmalonamides are prominent candidates for model molecules