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.

Rapid Hydrogenation of Aromatic Nitro Compounds in Supercritical Carbon Dioxide: Mechanistic Implications via Experimental and Theoretical Investigations

Abstract: An exceptionally rapid hydrogenation of nitrobenzene to aniline [TOF=252,000 h−1] over palladium containing MCM-41 (Pd/MCM-41) with excellent yield of >99% can be achieved in supercritical carbon dioxide at 50 °C and a hydrogen pressure of 2.5 MPa. It has been observed that this promising method preferred a single phase between liquid substrate and carbon dioxide-hydrogen system. The ascendancy of the supercritical carbon dioxide medium is established in comparison with the conventional organic solvent and solvent-less conditions. Changes in the reaction parameters such as carbon dioxide and hydrogen pressure, temperature and the reaction time do not affect the selectivity. A combined experimental and theoretical study has elucidated the mechanism under the studied reaction condition because experimental observations revealed a direct conversion of nitrobenzene to aniline. However, density functional theory (DFT) calculation shows that the direct conversion is energetically unfavourable; hence, a stepwise mechanism has been proposed. Theoretical predictions and experimental observations suggested that the rate-limiting step of nitrobenzene conversion is different from that of the liquid phase hydrogenation. This catalytic process can also be successfully extended to the hydrogenation of other aromatic nitro compounds with different substituents. Easy separation of the liquid product from catalyst and the use of an environmentally friendly solvent make this procedure a viable and an attractive green chemical process.

Selective Adsorption of Phenol and Nitrobenzene by β‐Cyclodextrin‐Intercalated Layered Double Hydroxide: Equilibrium and Kinetic Study

Abstract: The composite of carboxymethyl-modified β-cyclodextrin-intercalated ZnAl-layered double hydroxide (CMCD-LDH) was investigated for selective adsorption of phenol (Ph) and nitrobenzene (NB). The Freundlich model can be used to describe satisfactorily the adsorption isotherms of Ph and NB. The adsorption capacity of CMCD-LDH for Ph and NB increases with the increase of temperature, indicating the endothermic nature of this sorption process. CMCD-LDH exhibits preferential adsorption for Ph over NB at pH 6.5 due to the selective recognition of the interlayer CMCD cavity. Pseudo-first-order and pseudo-second-order kinetic models were applied to simulate the kinetics of the adsorption process. The calculated qe values based on the pseudo-second-order model are much closer to the experimental data qe,exp. As a result, the pseudo-second-order kinetic model is more reasonable to describe the adsorption process of Ph and NB onto the CMCD-LDH composite. CMCD-LDH can be potentially applied in selective adsorption and separation of wastewater pollutants.