Nitrobenzene

About: Nitrobenzene is a research topic. Over the lifetime, 5285 publications have been published within this topic receiving 83368 citations. The topic is also known as: essence of mirbane & nitrobenzol.

One-pot synthesis of imine from benzyl alcohol and nitrobenzene on visible-light responsive CdS–TiO2 photocatalysts

Abstract: The one-pot synthesis of imine (N-benzylideneaniline) from benzyl alcohol and nitrobenzene was studied on the CdS–TiO2 photocatalyst under visible-light irradiation (λ > 420 nm) at 298 K. The photocatalytic activity strongly depends on the loadings of CdS on the TiO2, and the preferred amount of CdS was 15 wt%. Photo-electrochemical investigations were also incorporated to demonstrate the reaction mechanism: the CdS is photosensitized by visible-light irradiation, and an effective hole–electron separation is generated in the hetero-junction between the CdS and TiO2. It was also confirmed that the photocatalytic oxidation of benzyl alcohol proceeds over the CdS surface, while the hydrogenative reduction of nitrobenzene into aminobenzene proceeds over the TiO2 surface. Moreover, the production of imine proceeded efficiently by the successive condensation of benzaldehyde and aminobenzene on the catalyst surface under dark conditions.

Ab initio investigation of internal rotation in conjugated molecules and the orientation of no2 in nitroaromatics : nitrobenzene, o-monofluoro- and o, o'-difluoro-nitrobenzenes

Abstract: Calculation of the barriers and associated one-dimensional torsional potential are performed for internal rotation of the nitro group in nitrobenzene as well as for o -fluoro- and o , o ′-difluoro-nitrobenzenes. It is shown that the presence of substituents in the ortho-positions force the nitro group to rotate about the C–N bond, out of the plane of the benzene ring. In these conjugated molecules, the inclusion of electron correlation is shown to be necessary for reliable barrier prediction. It is found that the π-stabilisation (resonance) has a relatively small contribution to the structure of the nitroaromatics, whereas the steric repulsion between the ortho-substituents and the oxygen atoms of the NO 2 group are rather significant. The interplay between them accounts for the fact that for o , o ′-C 6 H 3 F 2 NO 2 the barrier height at 0° is larger than that at 90° when electron correlation is included.

Nitrobenzene hydrogenation over aluminum borate- supported platinum catalyst

Abstract: The hydrogenation of nitrobenzene over platinum catalysts supported on alumina, activated carbon, and aluminum borate was investigated in a liquid phase batch reactor at a temperature of 50°C and a hydrogen pressure of 1 atm. The characteristics of hydrogen adsorption on these catalysts was determined by temperature-programmed desorption. For all catalysts, the reaction is zeroth order with respect to nitrobenzene and first order to hydrogen. Under the conditions employed in this study, aluminum borate-supported catalyst was found to possess the highest activity. This can be attributed to its stronger hydrogen adsorption. The interaction of boron with metal would affect the electronic structure of the metal which again influences the adsorptive and catalytic properties of metal catalysts.